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

Systemtic Name: 3,5-bis(bromanyl)-2-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[(3,4-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[(3,4-dimethylbenzoyl)thiocarbamoylamino]benzoic acid Formula: C17H14Br2N2O3S MolecularWeight: 486.17766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br)C

InChI

InChI=1S/C17H14Br2N2O3S/c1-8-3-4-10(5-9(8)2)15(22)21-17(25)20-14-12(16(23)24)6-11(18)7-13(14)19/h3-7H,1-2H3,(H,23,24)(H2,20,21,22,25)