3,5-bis(bromanyl)-2-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[(2-methoxy-3-methyl-benzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[(2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[(2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[(2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]benzoic acid Formula: C17H14Br2N2O4S MolecularWeight: 502.17706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br

InChI

InChI=1S/C17H14Br2N2O4S/c1-8-4-3-5-10(14(8)25-2)15(22)21-17(26)20-13-11(16(23)24)6-9(18)7-12(13)19/h3-7H,1-2H3,(H,23,24)(H2,20,21,22,26)