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

Systemtic Name: 3,5-bis(bromanyl)-2-[(3-chloranyl-4-methoxy-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[(3-chloro-4-methoxy-benzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[(3-chloro-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[(3-chloro-4-methoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[(3-chloro-4-methoxy-benzoyl)thiocarbamoylamino]benzoic acid Formula: C16H11Br2ClN2O4S MolecularWeight: 522.59554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br)Cl

InChI

InChI=1S/C16H11Br2ClN2O4S/c1-25-12-3-2-7(4-11(12)19)14(22)21-16(26)20-13-9(15(23)24)5-8(17)6-10(13)18/h2-6H,1H3,(H,23,24)(H2,20,21,22,26)