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

Systemtic Name: methyl 2-(butan-2-ylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(sec-butylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(butan-2-ylamino)-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(butan-2-ylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-(sec-butylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H27N3O3S2 MolecularWeight: 385.54458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)NC1=C(C(=C(S1)C(=O)N(CC)CC)C)C(=O)OC

Isomeric SMILES

CCC(C)NC(=S)NC1=C(C(=C(S1)C(=O)N(CC)CC)C)C(=O)OC

InChI

InChI=1S/C17H27N3O3S2/c1-7-10(4)18-17(24)19-14-12(16(22)23-6)11(5)13(25-14)15(21)20(8-2)9-3/h10H,7-9H2,1-6H3,(H2,18,19,24)