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

Systemtic Name: methyl 2-[2-(4-fluorophenyl)ethylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-fluorophenyl)ethylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-fluorophenyl)ethylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[2-(4-fluorophenyl)ethylthiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H17FN2O2S2 MolecularWeight: 352.446783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCCC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCCC2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C16H17FN2O2S2/c1-10-9-13(15(20)21-2)14(23-10)19-16(22)18-8-7-11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3,(H2,18,19,22)