2-phenylsulfanyl-1-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

Systemtic Name: 2-phenylsulfanyl-1-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Openeye Name: 2-phenylsulfanyl-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone CAS Name: 1-[(2S)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(phenylthio)ethanone IUPAC Name: 2-phenylsulfanyl-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Traditional Name: 2-(phenylthio)-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2CN(C3=CC=CC=C3O2)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O3S/c25-21(16-28-17-9-3-1-4-10-17)24-15-20(22(26)23-13-7-2-8-14-23)27-19-12-6-5-11-18(19)24/h1,3-6,9-12,20H,2,7-8,13-16H2/t20-/m0/s1