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

Systemtic Name: methyl 2-(cyclododecylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(cyclododecylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(cyclododecylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclododecylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(cyclododecylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H36N2O2S2 MolecularWeight: 472.70624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2CCCCCCCCCCC2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2CCCCCCCCCCC2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C26H36N2O2S2/c1-19-22(20-15-11-10-12-16-20)23(25(29)30-2)24(32-19)28-26(31)27-21-17-13-8-6-4-3-5-7-9-14-18-21/h10-12,15-16,21H,3-9,13-14,17-18H2,1-2H3,(H2,27,28,31)