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

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-chlorophenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-chlorophenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C17H17ClN4O4S2 MolecularWeight: 440.92428

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O4S2/c18-13-4-6-16(7-5-13)28(25,26)21-10-8-20(9-11-21)17(27)19-14-2-1-3-15(12-14)22(23)24/h1-7,12H,8-11H2,(H,19,27)