2-[2-[(3,4-dimethoxyphenyl)carbamothioyloxy]ethylcarbamoyl]benzoic acid

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)carbamothioyloxy]ethylcarbamoyl]benzoic acid Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)carbamothioyloxy]ethylcarbamoyl]benzoic acid CAS Name: 2-[[2-[(3,4-dimethoxyanilino)-sulfanylidenemethoxy]ethylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)carbamothioyloxy]ethylcarbamoyl]benzoic acid Traditional Name: 2-[2-[(3,4-dimethoxyphenyl)thiocarbamoyloxy]ethylcarbamoyl]benzoic acid Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)OCCNC(=O)C2=CC=CC=C2C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)OCCNC(=O)C2=CC=CC=C2C(=O)O)OC

InChI

InChI=1S/C19H20N2O6S/c1-25-15-8-7-12(11-16(15)26-2)21-19(28)27-10-9-20-17(22)13-5-3-4-6-14(13)18(23)24/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,28)(H,23,24)