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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(pentan-3-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(1-ethylpropylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(pentan-3-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(pentan-3-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(1-ethylpropylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H29N3O3S2 MolecularWeight: 399.57116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S2/c1-7-12(8-2)19-18(25)20-15-13(17(23)24-6)11(5)14(26-15)16(22)21(9-3)10-4/h12H,7-10H2,1-6H3,(H2,19,20,25)