4-(5-chloranyl-2-methyl-phenyl)-N-(3-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(5-chloranyl-2-methyl-phenyl)-N-(3-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-(5-chloro-2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-(5-chloro-2-methylphenyl)piperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-(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)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(=O)C

InChI

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