N-(3-chloranyl-4-methyl-phenyl)-4-(phenylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-(phenylcarbonyl)piperazine-1-carbothioamide Openeye Name: 4-benzoyl-N-(3-chloro-4-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-benzoyl-N-(3-chloro-4-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzoyl-N-(3-chloro-4-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzoyl-N-(3-chloro-4-methyl-phenyl)piperazine-1-carbothioamide Formula: C19H20ClN3OS MolecularWeight: 373.8996

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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=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3OS/c1-14-7-8-16(13-17(14)20)21-19(25)23-11-9-22(10-12-23)18(24)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,21,25)