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

Systemtic Name: methyl 2-[[2,4-bis(bromanyl)-6-fluoranyl-phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H15Br2FN2O2S2 MolecularWeight: 558.281703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=C(C=C(C=C2F)Br)Br)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=C(C=C(C=C2F)Br)Br)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H15Br2FN2O2S2/c1-10-15(11-6-4-3-5-7-11)16(19(26)27-2)18(29-10)25-20(28)24-17-13(22)8-12(21)9-14(17)23/h3-9H,1-2H3,(H2,24,25,28)