N-[3,5-bis(phenylsulfanyl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3,5-bis(phenylsulfanyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[3,5-bis(phenylsulfanyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3,5-bis(phenylthio)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3,5-bis(phenylsulfanyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[3,5-bis(phenylthio)phenyl]adamantane-1-carboxamide Formula: C29H29NOS2 MolecularWeight: 471.67666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC(=C4)SC5=CC=CC=C5)SC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC(=C4)SC5=CC=CC=C5)SC6=CC=CC=C6

InChI

InChI=1S/C29H29NOS2/c31-28(29-17-20-11-21(18-29)13-22(12-20)19-29)30-23-14-26(32-24-7-3-1-4-8-24)16-27(15-23)33-25-9-5-2-6-10-25/h1-10,14-16,20-22H,11-13,17-19H2,(H,30,31)