methyl 5-(diethylcarbamoyl)-4-methyl-2-(6-methylheptan-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(6-methylheptan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(1,5-dimethylhexylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(6-methylheptan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(6-methylheptan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(1,5-dimethylhexylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H35N3O3S2 MolecularWeight: 441.6509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O3S2/c1-8-24(9-2)19(25)17-15(6)16(20(26)27-7)18(29-17)23-21(28)22-14(5)12-10-11-13(3)4/h13-14H,8-12H2,1-7H3,(H2,22,23,28)