methyl 4-(4-fluorophenyl)-2-(2-methylprop-2-enylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-fluorophenyl)-2-(2-methylprop-2-enylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-2-(2-methylallylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[(2-methylprop-2-enylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-2-(2-methylprop-2-enylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-(2-methylallylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H17FN2O2S2 MolecularWeight: 364.457483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)NC1=C(C(=CS1)C2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

CC(=C)CNC(=S)NC1=C(C(=CS1)C2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C17H17FN2O2S2/c1-10(2)8-19-17(23)20-15-14(16(21)22-3)13(9-24-15)11-4-6-12(18)7-5-11/h4-7,9H,1,8H2,2-3H3,(H2,19,20,23)