(2S)-N-(3-fluoranyl-4-methyl-phenyl)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide

Systemtic Name: (2S)-N-(3-fluoranyl-4-methyl-phenyl)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Openeye Name: (2S)-N-(3-fluoro-4-methyl-phenyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide CAS Name: (2S)-N-(3-fluoro-4-methylphenyl)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazine-4-carbothioamide IUPAC Name: (2S)-N-(3-fluoro-4-methylphenyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Traditional Name: (2S)-N-(3-fluoro-4-methyl-phenyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Formula: C22H24FN3O2S MolecularWeight: 413.508263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC(OC3=CC=CC=C32)C(=O)N4CCCCC4)F

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN3O2S/c1-15-9-10-16(13-17(15)23)24-22(29)26-14-20(21(27)25-11-5-2-6-12-25)28-19-8-4-3-7-18(19)26/h3-4,7-10,13,20H,2,5-6,11-12,14H2,1H3,(H,24,29)/t20-/m0/s1