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

Systemtic Name: methyl 2-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[1-(4-sec-butylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-butan-2-ylphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[1-(4-sec-butylphenyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H26N2O2S2 MolecularWeight: 390.56264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C)NC(=S)NC2=C(C=C(S2)C)C(=O)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(C)NC(=S)NC2=C(C=C(S2)C)C(=O)OC

InChI

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