methyl 6-[[2,4-bis(bromanyl)-6-fluoranyl-phenyl]carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[[2,4-bis(bromanyl)-6-fluoranyl-phenyl]carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2,4-dibromo-6-fluoro-phenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2,4-dibromo-6-fluoroanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2,4-dibromo-6-fluorophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2,4-dibromo-6-fluoro-phenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H10Br2ClFN2O2S2 MolecularWeight: 552.662903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=C(C=C(C=C3F)Br)Br)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=C(C=C(C=C3F)Br)Br)Cl

InChI

InChI=1S/C17H10Br2ClFN2O2S2/c1-25-16(24)15-13(20)9-3-2-8(6-12(9)27-15)22-17(26)23-14-10(19)4-7(18)5-11(14)21/h2-6H,1H3,(H2,22,23,26)