methyl 3-[[2,4-bis(fluoranyl)phenyl]carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2,4-bis(fluoranyl)phenyl]carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(2,4-difluorophenyl)carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[(2,4-difluoroanilino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2,4-difluorophenyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[(2,4-difluorophenyl)thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C13H10F2N2O2S2 MolecularWeight: 328.357506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NC2=C(C=C(C=C2)F)F

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)NC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C13H10F2N2O2S2/c1-19-12(18)11-10(4-5-21-11)17-13(20)16-9-3-2-7(14)6-8(9)15/h2-6H,1H3,(H2,16,17,20)