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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(3-chloro-2-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(3-chloro-2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(3-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=CC=C1Cl)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

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

InChI

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