ethyl 2-[cyclooctylcarbamothioyl-(phenylmethyl)amino]ethanoate

Systemtic Name: ethyl 2-[cyclooctylcarbamothioyl-(phenylmethyl)amino]ethanoate Openeye Name: ethyl 2-[benzyl(cyclooctylcarbamothioyl)amino]acetate CAS Name: 2-[[(cyclooctylamino)-sulfanylidenemethyl]-(phenylmethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzyl(cyclooctylcarbamothioyl)amino]acetate Traditional Name: 2-[benzyl(cyclooctylthiocarbamoyl)amino]acetic acid ethyl ester Formula: C20H30N2O2S MolecularWeight: 362.5294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC=CC=C1)C(=S)NC2CCCCCCC2

Isomeric SMILES

CCOC(=O)CN(CC1=CC=CC=C1)C(=S)NC2CCCCCCC2

InChI

InChI=1S/C20H30N2O2S/c1-2-24-19(23)16-22(15-17-11-7-6-8-12-17)20(25)21-18-13-9-4-3-5-10-14-18/h6-8,11-12,18H,2-5,9-10,13-16H2,1H3,(H,21,25)