2-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-5-iodanyl-benzoic acid

Systemtic Name: 2-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[(4-ethoxy-3-nitro-benzoyl)carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]-5-iodo-benzoic acid Formula: C17H14IN3O6S MolecularWeight: 515.27903

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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=C2)I)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H14IN3O6S/c1-2-27-14-6-3-9(7-13(14)21(25)26)15(22)20-17(28)19-12-5-4-10(18)8-11(12)16(23)24/h3-8H,2H2,1H3,(H,23,24)(H2,19,20,22,28)