2-[4-(3-chlorophenyl)piperazin-1-yl]ethanethioamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethanethioamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]thioacetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazinyl]ethanethioamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethanethioamide Traditional Name: 2-[4-(3-chlorophenyl)piperazino]thioacetamide Formula: C12H16ClN3S MolecularWeight: 269.79354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=S)N)C2=CC(=CC=C2)Cl

Isomeric SMILES

C1CN(CCN1CC(=S)N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H16ClN3S/c13-10-2-1-3-11(8-10)16-6-4-15(5-7-16)9-12(14)17/h1-3,8H,4-7,9H2,(H2,14,17)