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

Systemtic Name: 2-[(3-chloranyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[(3-chloro-4-ethoxy-benzoyl)carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[(3-chloro-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[(3-chloro-4-ethoxybenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C17H13ClI2N2O4S MolecularWeight: 630.62306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClI2N2O4S/c1-2-26-13-4-3-8(5-11(13)18)15(23)22-17(27)21-14-10(16(24)25)6-9(19)7-12(14)20/h3-7H,2H2,1H3,(H,24,25)(H2,21,22,23,27)