ethyl 4-[2-[2-(4-methylphenyl)sulfanylethanoylamino]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(4-methylphenyl)sulfanylethanoylamino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[2-(p-tolylsulfanyl)acetyl]amino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-(p-tolylthio)acetyl]amino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C23H27N3O4S/c1-3-30-23(29)26-14-12-25(13-15-26)22(28)19-6-4-5-7-20(19)24-21(27)16-31-18-10-8-17(2)9-11-18/h4-11H,3,12-16H2,1-2H3,(H,24,27)