methyl 2-(butan-2-ylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(butan-2-ylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-(sec-butylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(butan-2-ylamino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(butan-2-ylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(sec-butylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C13H20N2O2S2 MolecularWeight: 300.4401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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