N-[5-(azepan-1-ylcarbonyl)-2-(4-chlorophenyl)sulfanyl-phenyl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylcarbonyl)-2-(4-chlorophenyl)sulfanyl-phenyl]ethanamide Openeye Name: N-[5-(azepane-1-carbonyl)-2-(4-chlorophenyl)sulfanyl-phenyl]acetamide CAS Name: N-[5-[1-azepanyl(oxo)methyl]-2-[(4-chlorophenyl)thio]phenyl]acetamide IUPAC Name: N-[5-(azepane-1-carbonyl)-2-(4-chlorophenyl)sulfanylphenyl]acetamide Traditional Name: N-[5-(azepane-1-carbonyl)-2-[(4-chlorophenyl)thio]phenyl]acetamide Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCCCC2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCCCC2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O2S/c1-15(25)23-19-14-16(21(26)24-12-4-2-3-5-13-24)6-11-20(19)27-18-9-7-17(22)8-10-18/h6-11,14H,2-5,12-13H2,1H3,(H,23,25)