4-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-[(3-isobutoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoic acid Traditional Name: 4-[(3-isobutoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H20N2O4S/c1-12(2)11-25-16-5-3-4-14(10-16)17(22)21-19(26)20-15-8-6-13(7-9-15)18(23)24/h3-10,12H,11H2,1-2H3,(H,23,24)(H2,20,21,22,26)