N-(3-chloranyl-2-methyl-phenyl)-4-(phenylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-(phenylcarbonyl)piperazine-1-carbothioamide Openeye Name: 4-benzoyl-N-(3-chloro-2-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-benzoyl-N-(3-chloro-2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzoyl-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzoyl-N-(3-chloro-2-methyl-phenyl)piperazine-1-carbothioamide Formula: C19H20ClN3OS MolecularWeight: 373.8996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

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