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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(1,1-diethylprop-2-ynylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(3-ethylpent-1-yn-3-ylamino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(1,1-diethylprop-2-ynylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H29N3O3S2 MolecularWeight: 423.59256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3S2/c1-8-20(9-2,10-3)22-19(27)21-16-14(18(25)26-7)13(6)15(28-16)17(24)23(11-4)12-5/h1H,9-12H2,2-7H3,(H2,21,22,27)