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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O

InChI

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