N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(2-chloro-4,6-dimethyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(2-chloro-4,6-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(2-chloro-4,6-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(2-chloro-4,6-dimethyl-phenyl)piperazine-1-carbothioamide Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3OS/c1-14-12-15(2)20(19(22)13-14)23-21(27)25-10-8-24(9-11-25)18-6-4-17(5-7-18)16(3)26/h4-7,12-13H,8-11H2,1-3H3,(H,23,27)