2-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 2-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[(3-ethoxybenzoyl)carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[(3-ethoxybenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[(3-ethoxybenzoyl)thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C17H14I2N2O4S MolecularWeight: 596.178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

InChI

InChI=1S/C17H14I2N2O4S/c1-2-25-11-5-3-4-9(6-11)15(22)21-17(26)20-14-12(16(23)24)7-10(18)8-13(14)19/h3-8H,2H2,1H3,(H,23,24)(H2,20,21,22,26)