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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O)Br)Br

InChI

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