ethyl 4-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-keto-2-[2-(p-tolylthio)ethylamino]ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NCCSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NCCSC2=CC=C(C=C2)C

InChI

InChI=1S/C18H27N3O3S/c1-3-24-18(23)21-11-9-20(10-12-21)14-17(22)19-8-13-25-16-6-4-15(2)5-7-16/h4-7H,3,8-14H2,1-2H3,(H,19,22)