methyl 2-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H23N5O6S3 MolecularWeight: 537.63222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC)C(=O)OC

InChI

InChI=1S/C21H23N5O6S3/c1-5-13-10-15(19(27)31-3)18(34-13)25-21(33)22-12-6-8-14(9-7-12)35(28,29)26-16-11-17(30-2)24-20(23-16)32-4/h6-11H,5H2,1-4H3,(H2,22,25,33)(H,23,24,26)