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

Systemtic Name: 4-methoxy-3-[(4-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(4-isopropoxybenzoyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 4-methoxy-3-[[[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(4-isopropoxybenzoyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C19H20N2O5S/c1-11(2)26-14-7-4-12(5-8-14)17(22)21-19(27)20-15-10-13(18(23)24)6-9-16(15)25-3/h4-11H,1-3H3,(H,23,24)(H2,20,21,22,27)