methyl 2-(cyclododecylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(cyclododecylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(cyclododecylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(cyclododecylamino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(cyclododecylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(cyclododecylthiocarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H34N2O2S2 MolecularWeight: 422.64756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3CCCCCCCCCCC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3CCCCCCCCCCC3

InChI

InChI=1S/C22H34N2O2S2/c1-26-21(25)19-17-14-11-15-18(17)28-20(19)24-22(27)23-16-12-9-7-5-3-2-4-6-8-10-13-16/h16H,2-15H2,1H3,(H2,23,24,27)