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

Systemtic Name: methyl 5-ethyl-2-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[1-(4-isopropylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[1-(4-propan-2-ylphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(1-p-cumenylethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H26N2O2S2 MolecularWeight: 390.56264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC(C)C2=CC=C(C=C2)C(C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC(C)C2=CC=C(C=C2)C(C)C)C(=O)OC

InChI

InChI=1S/C20H26N2O2S2/c1-6-16-11-17(19(23)24-5)18(26-16)22-20(25)21-13(4)15-9-7-14(8-10-15)12(2)3/h7-13H,6H2,1-5H3,(H2,21,22,25)