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

Systemtic Name: methyl 4,5-dimethyl-2-(3-methylbutylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(isopentylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(3-methylbutylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-(3-methylbutylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(isoamylthiocarbamoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C14H22N2O2S2 MolecularWeight: 314.46668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC(C)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC(C)C)C

InChI

InChI=1S/C14H22N2O2S2/c1-8(2)6-7-15-14(19)16-12-11(13(17)18-5)9(3)10(4)20-12/h8H,6-7H2,1-5H3,(H2,15,16,19)