1-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]-4-piperidin-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]-4-piperidin-1-yl-piperidine-4-carboxamide Openeye Name: 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]-4-(1-piperidyl)piperidine-4-carboxamide CAS Name: 1-[2-oxo-2-[2-(phenylthio)anilino]ethyl]-4-(1-piperidinyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2-keto-2-[2-(phenylthio)anilino]ethyl]-4-piperidino-isonipecotamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2(CCN(CC2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2(CCN(CC2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C25H32N4O2S/c26-24(31)25(29-15-7-2-8-16-29)13-17-28(18-14-25)19-23(30)27-21-11-5-6-12-22(21)32-20-9-3-1-4-10-20/h1,3-6,9-12H,2,7-8,13-19H2,(H2,26,31)(H,27,30)