3-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylcarbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]thiocarbamoylamino]-4-methyl-benzoic acid Formula: C18H16Br2N2O4S MolecularWeight: 516.20364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=C(C=C(C=C2C)Br)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=C(C=C(C=C2C)Br)Br

InChI

InChI=1S/C18H16Br2N2O4S/c1-9-3-4-11(17(24)25)6-14(9)21-18(27)22-15(23)8-26-16-10(2)5-12(19)7-13(16)20/h3-7H,8H2,1-2H3,(H,24,25)(H2,21,22,23,27)