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

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-4-methylphenyl)-4-[2-(methylthio)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-4-methylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-4-[2-(methylthio)phenyl]piperazine-1-carbothioamide Formula: C19H22ClN3S2 MolecularWeight: 391.98108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC)Cl

InChI

InChI=1S/C19H22ClN3S2/c1-14-7-8-16(15(20)13-14)21-19(24)23-11-9-22(10-12-23)17-5-3-4-6-18(17)25-2/h3-8,13H,9-12H2,1-2H3,(H,21,24)