methyl N-[1-octanoyl-5-[4-(octanoylamino)phenyl]sulfanyl-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[1-octanoyl-5-[4-(octanoylamino)phenyl]sulfanyl-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[1-octanoyl-5-[4-(octanoylamino)phenyl]sulfanyl-benzimidazol-2-yl]carbamate CAS Name: N-[1-(1-oxooctyl)-5-[[4-(1-oxooctylamino)phenyl]thio]-2-benzimidazolyl]carbamic acid methyl ester IUPAC Name: methyl N-[1-octanoyl-5-[4-(octanoylamino)phenyl]sulfanylbenzimidazol-2-yl]carbamate Traditional Name: N-[1-caprylyl-5-[[4-(caprylylamino)phenyl]thio]benzimidazol-2-yl]carbamic acid methyl ester Formula: C31H42N4O4S MolecularWeight: 566.75458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC=C(C=C1)SC2=CC3=C(C=C2)N(C(=N3)NC(=O)OC)C(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)NC1=CC=C(C=C1)SC2=CC3=C(C=C2)N(C(=N3)NC(=O)OC)C(=O)CCCCCCC

InChI

InChI=1S/C31H42N4O4S/c1-4-6-8-10-12-14-28(36)32-23-16-18-24(19-17-23)40-25-20-21-27-26(22-25)33-30(34-31(38)39-3)35(27)29(37)15-13-11-9-7-5-2/h16-22H,4-15H2,1-3H3,(H,32,36)(H,33,34,38)