1-(4-chlorophenyl)carbonyl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-chlorophenyl)carbonyl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(4-chlorobenzoyl)-N-[3-(2-thioxo-1H-imidazol-3-yl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-chlorobenzoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(4-chlorobenzoyl)-N-[3-(2-thioxo-4-imidazolin-1-yl)phenyl]isonipecotamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC(=C2)N3C=CNC3=S)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC(=C2)N3C=CNC3=S)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN4O2S/c23-17-6-4-16(5-7-17)21(29)26-11-8-15(9-12-26)20(28)25-18-2-1-3-19(14-18)27-13-10-24-22(27)30/h1-7,10,13-15H,8-9,11-12H2,(H,24,30)(H,25,28)