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

Systemtic Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(homoveratrylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C24H26N2O4S2 MolecularWeight: 470.60424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)OC

InChI

InChI=1S/C24H26N2O4S2/c1-28-20-10-9-17(14-21(20)29-2)11-12-25-24(31)26-22-19(23(27)30-3)15-18(32-22)13-16-7-5-4-6-8-16/h4-10,14-15H,11-13H2,1-3H3,(H2,25,26,31)