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

Systemtic Name: methyl 5-ethyl-2-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-[(6-methoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H21N5O5S3 MolecularWeight: 507.60624

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O5S3/c1-4-13-9-15(19(26)30-3)18(32-13)24-20(31)23-12-5-7-14(8-6-12)33(27,28)25-16-10-17(29-2)22-11-21-16/h5-11H,4H2,1-3H3,(H,21,22,25)(H2,23,24,31)