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

Systemtic Name: methyl 5-methyl-2-(2-methylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(1,1-dimethylpropylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(2-methylbutan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(2-methylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(tert-amylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H20N2O2S2 MolecularWeight: 300.4401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S2/c1-6-13(3,4)15-12(18)14-10-9(11(16)17-5)7-8(2)19-10/h7H,6H2,1-5H3,(H2,14,15,18)