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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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