N-[4-(1-adamantyl)phenyl]-2-(phenylmethylsulfanyl)benzamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-(phenylmethylsulfanyl)benzamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-benzylsulfanyl-benzamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-(phenylmethylthio)benzamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-benzylsulfanylbenzamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-(benzylthio)benzamide Formula: C30H31NOS MolecularWeight: 453.63824

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5SCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5SCC6=CC=CC=C6

InChI

InChI=1S/C30H31NOS/c32-29(27-8-4-5-9-28(27)33-20-21-6-2-1-3-7-21)31-26-12-10-25(11-13-26)30-17-22-14-23(18-30)16-24(15-22)19-30/h1-13,22-24H,14-20H2,(H,31,32)