N-[2-(azepan-1-ylcarbonyl)phenyl]-2-(4-chlorophenyl)sulfanyl-butanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-(4-chlorophenyl)sulfanyl-butanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(4-chlorophenyl)sulfanyl-butanamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-[(4-chlorophenyl)thio]butanamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(4-chlorophenyl)sulfanylbutanamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-[(4-chlorophenyl)thio]butyramide Formula: C23H27ClN2O2S MolecularWeight: 430.99068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H27ClN2O2S/c1-2-21(29-18-13-11-17(24)12-14-18)22(27)25-20-10-6-5-9-19(20)23(28)26-15-7-3-4-8-16-26/h5-6,9-14,21H,2-4,7-8,15-16H2,1H3,(H,25,27)