methyl 5-(dimethylcarbamoyl)-4-methyl-2-(octylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(octylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(octylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(octylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(octylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-(octylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H31N3O3S2 MolecularWeight: 413.59774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)NC1=C(C(=C(S1)C(=O)N(C)C)C)C(=O)OC

Isomeric SMILES

CCCCCCCCNC(=S)NC1=C(C(=C(S1)C(=O)N(C)C)C)C(=O)OC

InChI

InChI=1S/C19H31N3O3S2/c1-6-7-8-9-10-11-12-20-19(26)21-16-14(18(24)25-5)13(2)15(27-16)17(23)22(3)4/h6-12H2,1-5H3,(H2,20,21,26)