N-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]carbamothioyl]-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]carbamothioyl]-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]carbamothioyl]-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-sulfanylidenemethyl]-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]carbamothioyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(4-methylpiperazino)sulfonyl-N-[[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C23H28N6O5S3 MolecularWeight: 564.70062

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC(=S)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC(=S)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4

InChI

InChI=1S/C23H28N6O5S3/c1-28-11-13-29(14-12-28)37(33,34)20-8-2-5-17(15-20)22(30)26-23(35)25-18-6-3-7-19(16-18)36(31,32)27-21-9-4-10-24-21/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,24,27)(H2,25,26,30,35)