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

Systemtic Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyloxy]ethylcarbamoyl]benzoic acid Openeye Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyloxy]ethylcarbamoyl]benzoic acid CAS Name: 2-[[2-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethoxy]ethylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyloxy]ethylcarbamoyl]benzoic acid Traditional Name: 2-[2-(homoveratrylthiocarbamoyloxy)ethylcarbamoyl]benzoic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S/c1-27-17-8-7-14(13-18(17)28-2)9-10-23-21(30)29-12-11-22-19(24)15-5-3-4-6-16(15)20(25)26/h3-8,13H,9-12H2,1-2H3,(H,22,24)(H,23,30)(H,25,26)