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

Systemtic Name: ethyl 2-(cyclopropylcarbamothioylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(cyclopropylcarbamothioylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[(cyclopropylamino)-sulfanylidenemethyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyclopropylcarbamothioylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-(cyclopropylthiocarbamoylamino)-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C17H17FN2O2S2 MolecularWeight: 364.457483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN2O2S2/c1-2-22-16(21)14-13(10-3-5-11(18)6-4-10)9-24-15(14)20-17(23)19-12-7-8-12/h3-6,9,12H,2,7-8H2,1H3,(H2,19,20,23)