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

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[(2-methylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-(o-tolylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[(2-methylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[(2-methylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-(o-tolylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H19FN2O2S2 MolecularWeight: 414.516163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NC3=CC=CC=C3C

InChI

InChI=1S/C21H19FN2O2S2/c1-3-26-20(25)18-16(14-8-10-15(22)11-9-14)12-28-19(18)24-21(27)23-17-7-5-4-6-13(17)2/h4-12H,3H2,1-2H3,(H2,23,24,27)