methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(homoveratrylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC

InChI

InChI=1S/C21H26N2O4S2/c1-25-15-9-8-13(12-16(15)26-2)10-11-22-21(28)23-19-18(20(24)27-3)14-6-4-5-7-17(14)29-19/h8-9,12H,4-7,10-11H2,1-3H3,(H2,22,23,28)