3-[2-(4-ethylphenoxy)ethanoylcarbamothioylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-[2-(4-ethylphenoxy)ethanoylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[2-(4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[[2-(4-ethylphenoxy)acetyl]thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC

InChI

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