methyl 2-(butan-2-ylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(butan-2-ylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-(sec-butylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(butan-2-ylamino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(butan-2-ylcarbamothioylamino)-5-methylthiophene-3-carboxylate Traditional Name: 5-methyl-2-(sec-butylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C12H18N2O2S2 MolecularWeight: 286.41352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)NC1=C(C=C(S1)C)C(=O)OC

Isomeric SMILES

CCC(C)NC(=S)NC1=C(C=C(S1)C)C(=O)OC

InChI

InChI=1S/C12H18N2O2S2/c1-5-7(2)13-12(17)14-10-9(11(15)16-4)6-8(3)18-10/h6-7H,5H2,1-4H3,(H2,13,14,17)