N-[[3,5-bis[[3,5-bis[[3,5-bis[3-(1-adamantyloxy)propoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-2-sulfanyl-ethanamide

Systemtic Name: N-[[3,5-bis[[3,5-bis[[3,5-bis[3-(1-adamantyloxy)propoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-2-sulfanyl-ethanamide Openeye Name: N-[[3,5-bis[[3,5-bis[[3,5-bis[3-(1-adamantyloxy)propoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-2-sulfanyl-acetamide CAS Name: N-[[3,5-bis[[3,5-bis[[3,5-bis[3-(1-adamantyloxy)propoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-2-mercaptoacetamide IUPAC Name: N-[[3,5-bis[[3,5-bis[[3,5-bis[3-(1-adamantyloxy)propoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-2-sulfanylacetamide Traditional Name: N-[3,5-bis[[3,5-bis[[3,5-bis[3-(1-adamantyloxy)propoxy]benzyl]oxy]benzyl]oxy]benzyl]-2-mercapto-acetamide Formula: C155H207NO23S MolecularWeight: 2484.35998

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OCCCOC4=CC(=CC(=C4)COC5=CC(=CC(=C5)COC6=CC(=CC(=C6)CNC(=O)CS)OCC7=CC(=CC(=C7)OCC8=CC(=CC(=C8)OCCCOC91CC2CC(C9)CC(C2)C1)OCCCOC12CC3CC(C1)CC(C3)C2)OCC1=CC(=CC(=C1)OCCCOC12CC3CC(C1)CC(C3)C2)OCCCOC12CC3CC(C1)CC(C3)C2)OCC1=CC(=CC(=C1)OCCCOC12CC3CC(C1)CC(C3)C2)OCCCOC12CC3CC(C1)CC(C3)C2)OCCCOC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OCCCOC4=CC(=CC(=C4)COC5=CC(=CC(=C5)COC6=CC(=CC(=C6)CNC(=O)CS)OCC7=CC(=CC(=C7)OCC8=CC(=CC(=C8)OCCCOC91CC2CC(C9)CC(C2)C1)OCCCOC12CC3CC(C1)CC(C3)C2)OCC1=CC(=CC(=C1)OCCCOC12CC3CC(C1)CC(C3)C2)OCCCOC12CC3CC(C1)CC(C3)C2)OCC1=CC(=CC(=C1)OCCCOC12CC3CC(C1)CC(C3)C2)OCCCOC12CC3CC(C1)CC(C3)C2)OCCCOC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C155H207NO23S/c157-147(101-180)156-94-126-49-141(166-99-131-59-143(168-95-127-51-133(158-9-1-17-172-148-70-102-25-103(71-148)27-104(26-102)72-148)63-134(52-127)159-10-2-18-173-149-73-105-28-106(74-149)30-107(29-105)75-149)68-144(60-131)169-96-128-53-135(160-11-3-19-174-150-76-108-31-109(77-150)33-110(32-108)78-150)64-136(54-128)161-12-4-20-175-151-79-111-34-112(80-151)36-113(35-111)81-151)67-142(50-126)167-100-132-61-145(170-97-129-55-137(162-13-5-21-176-152-82-114-37-115(83-152)39-116(38-114)84-152)65-138(56-129)163-14-6-22-177-153-85-117-40-118(86-153)42-119(41-117)87-153)69-146(62-132)171-98-130-57-139(164-15-7-23-178-154-88-120-43-121(89-154)45-122(44-120)90-154)66-140(58-130)165-16-8-24-179-155-91-123-46-124(92-155)48-125(47-123)93-155/h49-69,102-125,180H,1-48,70-101H2,(H,156,157)