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

Systemtic Name: ethyl 2-[[2,4-bis(bromanyl)-6-fluoranyl-phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2,4-dibromo-6-fluoro-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2,4-dibromo-6-fluoroanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,4-dibromo-6-fluorophenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2,4-dibromo-6-fluoro-phenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H17Br2FN2O2S2 MolecularWeight: 572.308283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(C=C(C=C3F)Br)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(C=C(C=C3F)Br)Br

InChI

InChI=1S/C21H17Br2FN2O2S2/c1-3-28-20(27)17-16(12-7-5-4-6-8-12)11(2)30-19(17)26-21(29)25-18-14(23)9-13(22)10-15(18)24/h4-10H,3H2,1-2H3,(H2,25,26,29)