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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(1,1,3,3-tetramethylbutylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[sulfanylidene-(2,4,4-trimethylpentan-2-ylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-(1,1,3,3-tetramethylbutylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H35N3O3S2 MolecularWeight: 441.6509

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC(C)(C)CC(C)(C)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC(C)(C)CC(C)(C)C)C(=O)OC)C

InChI

InChI=1S/C21H35N3O3S2/c1-10-24(11-2)17(25)15-13(3)14(18(26)27-9)16(29-15)22-19(28)23-21(7,8)12-20(4,5)6/h10-12H2,1-9H3,(H2,22,23,28)