N-[2-(azepan-1-ylcarbonyl)phenyl]-2-(phenylmethylsulfanyl)benzamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-(phenylmethylsulfanyl)benzamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-benzylsulfanyl-benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(phenylmethylthio)benzamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-benzylsulfanylbenzamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(benzylthio)benzamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3SCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3SCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2S/c30-26(23-15-7-9-17-25(23)32-20-21-12-4-3-5-13-21)28-24-16-8-6-14-22(24)27(31)29-18-10-1-2-11-19-29/h3-9,12-17H,1-2,10-11,18-20H2,(H,28,30)