N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]cyclopentanecarboxamide

Systemtic Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]cyclopentanecarboxamide Openeye Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]cyclopentanecarboxamide CAS Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-sulfanylidenemethyl]cyclopentanecarboxamide IUPAC Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]cyclopentanecarboxamide Traditional Name: N-[[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiocarbamoyl]cyclopentanecarboxamide Formula: C17H23N4O3S2+ MolecularWeight: 395.51952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

C1CCC(C1)C(=O)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C17H22N4O3S2/c22-16(12-5-1-2-6-12)20-17(25)19-13-7-3-8-14(11-13)26(23,24)21-15-9-4-10-18-15/h3,7-8,11-12H,1-2,4-6,9-10H2,(H,18,21)(H2,19,20,22,25)/p+1