4-[(3-chlorophenyl)methyl]-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-phenyl-piperazine-1-carbothioamide Formula: C18H20ClN3S MolecularWeight: 345.8895

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=S)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C18H20ClN3S/c19-16-6-4-5-15(13-16)14-21-9-11-22(12-10-21)18(23)20-17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,20,23)