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

Systemtic Name: 3,5-bis(bromanyl)-2-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[(3-isobutoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[(3-isobutoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C19H18Br2N2O4S MolecularWeight: 530.23022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18Br2N2O4S/c1-10(2)9-27-13-5-3-4-11(6-13)17(24)23-19(28)22-16-14(18(25)26)7-12(20)8-15(16)21/h3-8,10H,9H2,1-2H3,(H,25,26)(H2,22,23,24,28)