N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]ethanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-[(3,4-dichlorophenyl)methylthio]acetamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-[(3,4-dichlorobenzyl)thio]acetamide Formula: C22H24Cl2N2O2S MolecularWeight: 451.40916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CSCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CSCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H24Cl2N2O2S/c23-18-10-9-16(13-19(18)24)14-29-15-21(27)25-20-8-4-3-7-17(20)22(28)26-11-5-1-2-6-12-26/h3-4,7-10,13H,1-2,5-6,11-12,14-15H2,(H,25,27)