4-(3-chlorophenyl)-N-methyl-piperazine-1-carbothioamide

Systemtic Name: 4-(3-chlorophenyl)-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-(3-chlorophenyl)-N-methyl-piperazine-1-carbothioamide CAS Name: 4-(3-chlorophenyl)-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-(3-chlorophenyl)-N-methylpiperazine-1-carbothioamide Traditional Name: 4-(3-chlorophenyl)-N-methyl-piperazine-1-carbothioamide Formula: C12H16ClN3S MolecularWeight: 269.79354

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CNC(=S)N1CCN(CC1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H16ClN3S/c1-14-12(17)16-7-5-15(6-8-16)11-4-2-3-10(13)9-11/h2-4,9H,5-8H2,1H3,(H,14,17)