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

Systemtic Name: 3,5-bis(bromanyl)-2-[(4-ethoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[(4-ethoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[(4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[(4-ethoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[(4-ethoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C17H14Br2N2O4S MolecularWeight: 502.17706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Br2N2O4S/c1-2-25-11-5-3-9(4-6-11)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)