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

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(phenylcarbonyl)piperazine-1-carbothioamide Openeye Name: 4-benzoyl-N-(2-chloro-4,6-dimethyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-benzoyl-N-(2-chloro-4,6-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzoyl-N-(2-chloro-4,6-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzoyl-N-(2-chloro-4,6-dimethyl-phenyl)piperazine-1-carbothioamide Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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