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

Systemtic Name: ethyl 4-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-keto-2-(p-toluidino)ethyl]thio]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C)SCC(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C)SCC(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C19H27N3O4S/c1-4-26-19(25)22-11-9-21(10-12-22)18(24)15(3)27-13-17(23)20-16-7-5-14(2)6-8-16/h5-8,15H,4,9-13H2,1-3H3,(H,20,23)