2-(4-chlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)butanamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)butanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)butanamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[3-(1-imidazolyl)propyl]butanamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)butanamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-(3-imidazol-1-ylpropyl)butyramide Formula: C16H20ClN3OS MolecularWeight: 337.8675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCCN1C=CN=C1)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C(=O)NCCCN1C=CN=C1)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H20ClN3OS/c1-2-15(22-14-6-4-13(17)5-7-14)16(21)19-8-3-10-20-11-9-18-12-20/h4-7,9,11-12,15H,2-3,8,10H2,1H3,(H,19,21)