N-(5-chloranyl-2-methyl-phenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(5-chloro-2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(5-chloro-2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioamide Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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