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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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