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

Systemtic Name: 3-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[(3-ethoxybenzoyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[(3-ethoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[(3-ethoxybenzoyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C18H18N2O5S/c1-3-25-13-6-4-5-11(9-13)16(21)20-18(26)19-14-10-12(17(22)23)7-8-15(14)24-2/h4-10H,3H2,1-2H3,(H,22,23)(H2,19,20,21,26)