methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-methylbutylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-methylbutylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(isopentylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(3-methylbutylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-methylbutylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(isoamylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H29N3O3S2 MolecularWeight: 399.57116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S2/c1-7-21(8-2)16(22)14-12(5)13(17(23)24-6)15(26-14)20-18(25)19-10-9-11(3)4/h11H,7-10H2,1-6H3,(H2,19,20,25)