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

Systemtic Name: methyl 4-(4-fluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[(4-methoxyphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H17FN2O3S2 MolecularWeight: 416.488983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C20H17FN2O3S2/c1-25-15-9-7-14(8-10-15)22-20(27)23-18-17(19(24)26-2)16(11-28-18)12-3-5-13(21)6-4-12/h3-11H,1-2H3,(H2,22,23,27)