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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)OCC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)OCC(C)C)C(=O)O

InChI

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