methyl 2-[[2,4-bis(bromanyl)-6-fluoranyl-phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2,4-bis(bromanyl)-6-fluoranyl-phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2,4-dibromo-6-fluoro-phenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(2,4-dibromo-6-fluoroanilino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2,4-dibromo-6-fluorophenyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(2,4-dibromo-6-fluoro-phenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C15H13Br2FN2O2S2 MolecularWeight: 496.212323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=C(C=C(C=C2F)Br)Br)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=C(C=C(C=C2F)Br)Br)C(=O)OC

InChI

InChI=1S/C15H13Br2FN2O2S2/c1-3-8-6-9(14(21)22-2)13(24-8)20-15(23)19-12-10(17)4-7(16)5-11(12)18/h4-6H,3H2,1-2H3,(H2,19,20,23)