4-(3-chlorophenyl)-N-(2-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-chlorophenyl)-N-(2-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chlorophenyl)-N-(2-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(3-chlorophenyl)-N-(2-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chlorophenyl)-N-(2-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chlorophenyl)-N-(2-nitrophenyl)piperazine-1-carbothioamide Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN4O2S/c18-13-4-3-5-14(12-13)20-8-10-21(11-9-20)17(25)19-15-6-1-2-7-16(15)22(23)24/h1-7,12H,8-11H2,(H,19,25)