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

Systemtic Name: 3,5-bis(bromanyl)-2-[(4-butan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[(4-sec-butoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[(4-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[(4-butan-2-yloxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[(4-sec-butoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C19H18Br2N2O4S MolecularWeight: 530.23022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br

InChI

InChI=1S/C19H18Br2N2O4S/c1-3-10(2)27-13-6-4-11(5-7-13)17(24)23-19(28)22-16-14(18(25)26)8-12(20)9-15(16)21/h4-10H,3H2,1-2H3,(H,25,26)(H2,22,23,24,28)