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

Systemtic Name: N-(2-chlorophenyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-chlorophenyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-chlorophenyl)-4-(4-nitrophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-chlorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-chlorophenyl)-4-nosyl-piperazine-1-carbothioamide Formula: C17H17ClN4O4S2 MolecularWeight: 440.92428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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