methyl 2-(cyclododecylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(cyclododecylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(cyclododecylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(cyclododecylamino)-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclododecylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-(cyclododecylthiocarbamoylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H41N3O3S2 MolecularWeight: 495.74134

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2CCCCCCCCCCC2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2CCCCCCCCCCC2)C(=O)OC)C

InChI

InChI=1S/C25H41N3O3S2/c1-5-28(6-2)23(29)21-18(3)20(24(30)31-4)22(33-21)27-25(32)26-19-16-14-12-10-8-7-9-11-13-15-17-19/h19H,5-17H2,1-4H3,(H2,26,27,32)