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

Systemtic Name: methyl 2-[(2-ethylphenyl)carbamothioylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(2-ethylphenyl)carbamothioylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[(2-ethylanilino)-sulfanylidenemethyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-ethylphenyl)carbamothioylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[(2-ethylphenyl)thiocarbamoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C21H19FN2O2S2 MolecularWeight: 414.516163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OC

InChI

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