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

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O2S/c19-15-3-1-2-14(12-15)13-21-8-10-22(11-9-21)18(26)20-16-4-6-17(7-5-16)23(24)25/h1-7,12H,8-11,13H2,(H,20,26)