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

Systemtic Name: 3-[[2-bromanyl-3,5-bis(iodanyl)phenyl]carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(2-bromo-3,5-diiodo-benzoyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(2-bromo-3,5-diiodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(2-bromo-3,5-diiodobenzoyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(2-bromo-3,5-diiodo-benzoyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C16H11BrI2N2O3S MolecularWeight: 645.04808

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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(=C2Br)I)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=CC(=C2Br)I)I

InChI

InChI=1S/C16H11BrI2N2O3S/c1-7-2-3-8(15(23)24)4-12(7)20-16(25)21-14(22)10-5-9(18)6-11(19)13(10)17/h2-6H,1H3,(H,23,24)(H2,20,21,22,25)