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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(1,1,3,3-tetramethylbutylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[sulfanylidene-(2,4,4-trimethylpentan-2-ylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-(1,1,3,3-tetramethylbutylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H31N3O3S2 MolecularWeight: 413.59774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)(C)CC(C)(C)C)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)(C)CC(C)(C)C)C(=O)N(C)C

InChI

InChI=1S/C19H31N3O3S2/c1-11-12(16(24)25-9)14(27-13(11)15(23)22(7)8)20-17(26)21-19(5,6)10-18(2,3)4/h10H2,1-9H3,(H2,20,21,26)