4-[2,5-bis(chloranyl)phenyl]sulfonyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[2,5-bis(chloranyl)phenyl]sulfonyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Formula: C17H18Cl2N4O4S3 MolecularWeight: 509.45022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C17H18Cl2N4O4S3/c18-12-1-6-15(19)16(11-12)30(26,27)23-9-7-22(8-10-23)17(28)21-13-2-4-14(5-3-13)29(20,24)25/h1-6,11H,7-10H2,(H,21,28)(H2,20,24,25)