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

Systemtic Name: methyl 5-methyl-2-(6-methylheptan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(1,5-dimethylhexylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(6-methylheptan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(6-methylheptan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(1,5-dimethylhexylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H26N2O2S2 MolecularWeight: 342.51984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC(C)CCCC(C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC(C)CCCC(C)C)C(=O)OC

InChI

InChI=1S/C16H26N2O2S2/c1-10(2)7-6-8-11(3)17-16(21)18-14-13(15(19)20-5)9-12(4)22-14/h9-11H,6-8H2,1-5H3,(H2,17,18,21)