methyl 4,5-dimethyl-2-(6-methylheptan-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-(6-methylheptan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(1,5-dimethylhexylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(6-methylheptan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-(6-methylheptan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(1,5-dimethylhexylthiocarbamoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H28N2O2S2 MolecularWeight: 356.54642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2S2/c1-10(2)8-7-9-11(3)18-17(22)19-15-14(16(20)21-6)12(4)13(5)23-15/h10-11H,7-9H2,1-6H3,(H2,18,19,22)