methyl 2-[(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)carbamothioylsulfamoyl]benzoate

Systemtic Name: methyl 2-[(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)carbamothioylsulfamoyl]benzoate Openeye Name: methyl 2-[(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)carbamothioylsulfamoyl]benzoate CAS Name: 2-[[[(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]-sulfanylidenemethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)carbamothioylsulfamoyl]benzoate Traditional Name: 2-[(4-methoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)thiocarbamoylsulfamoyl]benzoic acid methyl ester Formula: C17H18N4O5S2 MolecularWeight: 422.47862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC2=C1CCC2)NC(=S)NS(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC1=NC(=NC2=C1CCC2)NC(=S)NS(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C17H18N4O5S2/c1-25-14-10-7-5-8-12(10)18-16(19-14)20-17(27)21-28(23,24)13-9-4-3-6-11(13)15(22)26-2/h3-4,6,9H,5,7-8H2,1-2H3,(H2,18,19,20,21,27)