N-[2-(azepan-1-ylcarbonyl)phenyl]-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-3-(phenylmethylsulfanyl)propanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-3-benzylsulfanyl-propanamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-3-(phenylmethylthio)propanamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-3-benzylsulfanylpropanamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-3-(benzylthio)propionamide Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CCSCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CCSCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O2S/c26-22(14-17-28-18-19-10-4-3-5-11-19)24-21-13-7-6-12-20(21)23(27)25-15-8-1-2-9-16-25/h3-7,10-13H,1-2,8-9,14-18H2,(H,24,26)