4-methyl-3-[(3-propoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-methyl-3-[(3-propoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-methyl-3-[(3-propoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-methyl-3-[[[[oxo-(3-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(3-propoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-methyl-3-[(3-propoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C

InChI

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