ethyl 4-(4-fluorophenyl)-2-[(2-fluorophenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[(2-fluorophenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-[(2-fluorophenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[(2-fluorophenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[(2-fluorophenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H18F2N2O2S2 MolecularWeight: 432.506626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)NC(=S)NC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)NC(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C21H18F2N2O2S2/c1-3-27-20(26)18-17(13-8-10-14(22)11-9-13)12(2)29-19(18)25-21(28)24-16-7-5-4-6-15(16)23/h4-11H,3H2,1-2H3,(H2,24,25,28)