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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)N4C=CNC4=S

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)N4C=CNC4=S

InChI

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