methyl 2-(cyclododecylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(cyclododecylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(cyclododecylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(cyclododecylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(cyclododecylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(cyclododecylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H36N2O2S2 MolecularWeight: 436.67414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3CCCCCCCCCCC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3CCCCCCCCCCC3

InChI

InChI=1S/C23H36N2O2S2/c1-27-22(26)20-18-15-11-12-16-19(18)29-21(20)25-23(28)24-17-13-9-7-5-3-2-4-6-8-10-14-17/h17H,2-16H2,1H3,(H2,24,25,28)