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

Systemtic Name: 3,5-bis(bromanyl)-2-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[(3-bromo-4-ethoxy-benzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic acid Formula: C17H13Br3N2O4S MolecularWeight: 581.07312

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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)Br)Br)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br)Br

InChI

InChI=1S/C17H13Br3N2O4S/c1-2-26-13-4-3-8(5-11(13)19)15(23)22-17(27)21-14-10(16(24)25)6-9(18)7-12(14)20/h3-7H,2H2,1H3,(H,24,25)(H2,21,22,23,27)