methyl 4-ethyl-5-methyl-2-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[1-(4-isopropylphenyl)ethylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[1-(4-propan-2-ylphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-(1-p-cumenylethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H28N2O2S2 MolecularWeight: 404.58922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)C2=CC=C(C=C2)C(C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)C2=CC=C(C=C2)C(C)C)C

InChI

InChI=1S/C21H28N2O2S2/c1-7-17-14(5)27-19(18(17)20(24)25-6)23-21(26)22-13(4)16-10-8-15(9-11-16)12(2)3/h8-13H,7H2,1-6H3,(H2,22,23,26)