methyl 4-(4-fluorophenyl)-2-(methylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-fluorophenyl)-2-(methylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-2-(methylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[methylamino(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-2-(methylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-(methylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C14H13FN2O2S2 MolecularWeight: 324.393623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13FN2O2S2/c1-16-14(20)17-12-11(13(18)19-2)10(7-21-12)8-3-5-9(15)6-4-8/h3-7H,1-2H3,(H2,16,17,20)