4-(4-nitrophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-nitrophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-nitrophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-nitrophenyl)-N-(4-sulfamoylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-nitrophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-nitrophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Formula: C17H19N5O4S2 MolecularWeight: 421.49386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4S2/c18-28(25,26)16-7-1-13(2-8-16)19-17(27)21-11-9-20(10-12-21)14-3-5-15(6-4-14)22(23)24/h1-8H,9-12H2,(H,19,27)(H2,18,25,26)