methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-(homoveratrylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CC(=C(C=C2)OC)OC)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CC(=C(C=C2)OC)OC)C(=O)N(C)C

InChI

InChI=1S/C21H27N3O5S2/c1-12-16(20(26)29-6)18(31-17(12)19(25)24(2)3)23-21(30)22-10-9-13-7-8-14(27-4)15(11-13)28-5/h7-8,11H,9-10H2,1-6H3,(H2,22,23,30)