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

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-(2-methylprop-2-enylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-(2-methylallylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[(2-methylprop-2-enylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-(2-methylprop-2-enylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-(2-methylallylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C18H19FN2O2S2 MolecularWeight: 378.484063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN2O2S2/c1-4-23-17(22)15-14(12-5-7-13(19)8-6-12)10-25-16(15)21-18(24)20-9-11(2)3/h5-8,10H,2,4,9H2,1,3H3,(H2,20,21,24)