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

Systemtic Name: methyl 2-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[1-(4-sec-butylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-butan-2-ylphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 5-ethyl-2-[1-(4-sec-butylphenyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H28N2O2S2 MolecularWeight: 404.58922

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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)CC)C(=O)OC

Isomeric SMILES

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

InChI

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