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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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