3-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3,5-dibromo-2-methoxy-benzoyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(3,5-dibromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(3,5-dibromo-2-methoxy-benzoyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C17H14Br2N2O4S MolecularWeight: 502.17706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br

InChI

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