methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-4,5-dimethoxybenzoate Traditional Name: 2-(homoveratrylthiocarbamoylamino)-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC)OC

InChI

InChI=1S/C21H26N2O6S/c1-25-16-7-6-13(10-17(16)26-2)8-9-22-21(30)23-15-12-19(28-4)18(27-3)11-14(15)20(24)29-5/h6-7,10-12H,8-9H2,1-5H3,(H2,22,23,30)