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

Systemtic Name: 2-(4-methylphenyl)sulfanyl-1-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Openeye Name: 1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(p-tolylsulfanyl)ethanone CAS Name: 2-[(4-methylphenyl)thio]-1-[(2S)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone IUPAC Name: 2-(4-methylphenyl)sulfanyl-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Traditional Name: 1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(p-tolylthio)ethanone Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N2CC(OC3=CC=CC=C32)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)N4CCCCC4

InChI

InChI=1S/C23H26N2O3S/c1-17-9-11-18(12-10-17)29-16-22(26)25-15-21(23(27)24-13-5-2-6-14-24)28-20-8-4-3-7-19(20)25/h3-4,7-12,21H,2,5-6,13-16H2,1H3/t21-/m0/s1