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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(6-methylheptan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-(1,5-dimethylhexylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(6-methylheptan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(6-methylheptan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-(1,5-dimethylhexylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H31N3O3S2 MolecularWeight: 413.59774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)CCCC(C)C)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)CCCC(C)C)C(=O)N(C)C

InChI

InChI=1S/C19H31N3O3S2/c1-11(2)9-8-10-12(3)20-19(26)21-16-14(18(24)25-7)13(4)15(27-16)17(23)22(5)6/h11-12H,8-10H2,1-7H3,(H2,20,21,26)