3-[3-(piperidin-3-ylmethyl)phenoxy]propyl N-[3-(2-nitrososulfanyl-2-adamantyl)-2-oxidanylidene-propyl]carbamate

Systemtic Name: 3-[3-(piperidin-3-ylmethyl)phenoxy]propyl N-[3-(2-nitrososulfanyl-2-adamantyl)-2-oxidanylidene-propyl]carbamate Openeye Name: 3-[3-(3-piperidylmethyl)phenoxy]propyl N-[3-(2-nitrososulfanyl-2-adamantyl)-2-oxo-propyl]carbamate CAS Name: N-[3-[2-(nitrosothio)-2-adamantyl]-2-oxopropyl]carbamic acid 3-[3-(3-piperidinylmethyl)phenoxy]propyl ester IUPAC Name: 3-[3-(piperidin-3-ylmethyl)phenoxy]propyl N-[3-(2-nitrososulfanyl-2-adamantyl)-2-oxopropyl]carbamate Traditional Name: N-[2-keto-3-[2-(nitrosothio)-2-adamantyl]propyl]carbamic acid 3-[3-(3-piperidylmethyl)phenoxy]propyl ester Formula: C29H41N3O5S MolecularWeight: 543.71794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)CC2=CC(=CC=C2)OCCCOC(=O)NCC(=O)CC3(C4CC5CC(C4)CC3C5)SN=O

Isomeric SMILES

C1CC(CNC1)CC2=CC(=CC=C2)OCCCOC(=O)NCC(=O)CC3(C4CC5CC(C4)CC3C5)SN=O

InChI

InChI=1S/C29H41N3O5S/c33-26(17-29(38-32-35)24-12-22-11-23(14-24)15-25(29)13-22)19-31-28(34)37-9-3-8-36-27-6-1-4-20(16-27)10-21-5-2-7-30-18-21/h1,4,6,16,21-25,30H,2-3,5,7-15,17-19H2,(H,31,34)