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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-[2-(methylthio)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Traditional Name: N-(3-chloro-2-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=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC

InChI

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