4-(3,4-dichlorophenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3,4-dichlorophenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,4-dichlorophenyl)-N-(o-tolyl)piperazine-1-carbothioamide CAS Name: 4-(3,4-dichlorophenyl)-N-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dichlorophenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,4-dichlorophenyl)-N-(o-tolyl)piperazine-1-carbothioamide Formula: C18H19Cl2N3S MolecularWeight: 380.33456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H19Cl2N3S/c1-13-4-2-3-5-17(13)21-18(24)23-10-8-22(9-11-23)14-6-7-15(19)16(20)12-14/h2-7,12H,8-11H2,1H3,(H,21,24)