ethyl 5-[(4-fluorophenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(4-fluorophenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(4-fluorobenzoyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[[(4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-fluorobenzoyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[(4-fluorobenzoyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C16H15FN2O3S2 MolecularWeight: 366.430303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)C2=CC=C(C=C2)F)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)C2=CC=C(C=C2)F)C

InChI

InChI=1S/C16H15FN2O3S2/c1-3-22-15(21)13-9(2)8-12(24-13)18-16(23)19-14(20)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3,(H2,18,19,20,23)