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

Systemtic Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-(homoveratrylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H24N2O4S2 MolecularWeight: 456.57766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O4S2/c1-27-18-10-9-15(13-19(18)28-2)11-12-24-23(30)25-21-17(22(26)29-3)14-20(31-21)16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H2,24,25,30)