4-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=S)N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=S)N

InChI

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