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

Systemtic Name: methyl 5-methyl-2-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-(1,1,3,3-tetramethylbutylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[sulfanylidene-(2,4,4-trimethylpentan-2-ylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-(1,1,3,3-tetramethylbutylthiocarbamoylamino)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)(C)CC(C)(C)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2S2/c1-10-8-11(13(19)20-7)12(22-10)17-14(21)18-16(5,6)9-15(2,3)4/h8H,9H2,1-7H3,(H2,17,18,21)