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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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