methyl 3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C17H15N5O4S3 MolecularWeight: 449.5271

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C17H15N5O4S3/c1-26-15(23)14-13(7-10-28-14)21-17(27)20-11-3-5-12(6-4-11)29(24,25)22-16-18-8-2-9-19-16/h2-10H,1H3,(H,18,19,22)(H2,20,21,27)