N-(3-nitrophenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-nitrophenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C17H18N4O4S2 MolecularWeight: 406.47922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O4S2/c22-21(23)15-6-4-5-14(13-15)18-17(26)19-9-11-20(12-10-19)27(24,25)16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,18,26)