2-methyl-3-[(4-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-methyl-3-[(4-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(4-isopropoxybenzoyl)carbamothioylamino]-2-methyl-benzoic acid CAS Name: 2-methyl-3-[[[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(4-isopropoxybenzoyl)thiocarbamoylamino]-2-methyl-benzoic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-11(2)25-14-9-7-13(8-10-14)17(22)21-19(26)20-16-6-4-5-15(12(16)3)18(23)24/h4-11H,1-3H3,(H,23,24)(H2,20,21,22,26)