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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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