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

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

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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)OC(C)C

Isomeric SMILES

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

InChI

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