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

Systemtic Name: methyl 2-[[2,4-bis(bromanyl)-6-fluoranyl-phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2,4-dibromo-6-fluoro-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(2,4-dibromo-6-fluoroanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2,4-dibromo-6-fluorophenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2,4-dibromo-6-fluoro-phenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H11Br2FN2O2S2 MolecularWeight: 482.185743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11Br2FN2O2S2/c1-6-3-8(13(20)21-2)12(23-6)19-14(22)18-11-9(16)4-7(15)5-10(11)17/h3-5H,1-2H3,(H2,18,19,22)