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

Systemtic Name: 4-methyl-3-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(3-isobutoxybenzoyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoic acid Traditional Name: 3-[(3-isobutoxybenzoyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C

InChI

InChI=1S/C20H22N2O4S/c1-12(2)11-26-16-6-4-5-14(9-16)18(23)22-20(27)21-17-10-15(19(24)25)8-7-13(17)3/h4-10,12H,11H2,1-3H3,(H,24,25)(H2,21,22,23,27)