methyl 2-(cyclopropylcarbamothioylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(cyclopropylcarbamothioylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(cyclopropylcarbamothioylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[(cyclopropylamino)-sulfanylidenemethyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclopropylcarbamothioylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-(cyclopropylthiocarbamoylamino)-4-(4-fluorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C16H15FN2O2S2 MolecularWeight: 350.430903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NC3CC3

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NC3CC3

InChI

InChI=1S/C16H15FN2O2S2/c1-21-15(20)13-12(9-2-4-10(17)5-3-9)8-23-14(13)19-16(22)18-11-6-7-11/h2-5,8,11H,6-7H2,1H3,(H2,18,19,22)