N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C18H18N5O3S3+ MolecularWeight: 448.56222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C18H17N5O3S3/c24-16(10-28-18-14-6-8-27-17(14)20-11-21-18)22-12-3-1-4-13(9-12)29(25,26)23-15-5-2-7-19-15/h1,3-4,6,8-9,11H,2,5,7,10H2,(H,19,23)(H,22,24)/p+1