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

Systemtic Name: methyl 4-ethyl-2-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[[4-[(6-methoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H23N5O5S3 MolecularWeight: 521.63282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC=N3)OC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC=N3)OC)C

InChI

InChI=1S/C21H23N5O5S3/c1-5-15-12(2)33-19(18(15)20(27)31-4)25-21(32)24-13-6-8-14(9-7-13)34(28,29)26-16-10-17(30-3)23-11-22-16/h6-11H,5H2,1-4H3,(H,22,23,26)(H2,24,25,32)