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

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C16H11BrI2N2O4S MolecularWeight: 661.04748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I)Br

InChI

InChI=1S/C16H11BrI2N2O4S/c1-25-12-3-2-7(4-10(12)17)14(22)21-16(26)20-13-9(15(23)24)5-8(18)6-11(13)19/h2-6H,1H3,(H,23,24)(H2,20,21,22,26)