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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=C(C(=C(S1)C)C)C(=O)OC

Isomeric SMILES

CCCCNC(=S)NC1=C(C(=C(S1)C)C)C(=O)OC

InChI

InChI=1S/C13H20N2O2S2/c1-5-6-7-14-13(18)15-11-10(12(16)17-4)8(2)9(3)19-11/h5-7H2,1-4H3,(H2,14,15,18)