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

Systemtic Name: methyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[1-(4-sec-butylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-butan-2-ylphenyl)propylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[1-(4-sec-butylphenyl)propylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H28N2O2S2 MolecularWeight: 404.58922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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