4-(2-chlorophenyl)carbonyl-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-chlorophenyl)carbonyl-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-chlorobenzoyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(2-chlorophenyl)-oxomethyl]-N-(3,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-chlorobenzoyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-chlorobenzoyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C20H22ClN3OS MolecularWeight: 387.92618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C20H22ClN3OS/c1-14-11-15(2)13-16(12-14)22-20(26)24-9-7-23(8-10-24)19(25)17-5-3-4-6-18(17)21/h3-6,11-13H,7-10H2,1-2H3,(H,22,26)