methyl 5-(dimethylcarbamoyl)-2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,1-diethylprop-2-ynylcarbamothioylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[(3-ethylpent-1-yn-3-ylamino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-4-methylthiophene-3-carboxylate Traditional Name: 2-(1,1-diethylprop-2-ynylthiocarbamoylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H25N3O3S2 MolecularWeight: 395.5394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3S2/c1-8-18(9-2,10-3)20-17(25)19-14-12(16(23)24-7)11(4)13(26-14)15(22)21(5)6/h1H,9-10H2,2-7H3,(H2,19,20,25)