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

Systemtic Name: (2S)-N-(3-fluoranyl-4-methyl-phenyl)-2-morpholin-4-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Openeye Name: (2S)-N-(3-fluoro-4-methyl-phenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide CAS Name: (2S)-N-(3-fluoro-4-methylphenyl)-2-[4-morpholinyl(oxo)methyl]-2,3-dihydro-1,4-benzoxazine-4-carbothioamide IUPAC Name: (2S)-N-(3-fluoro-4-methylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Traditional Name: (2S)-N-(3-fluoro-4-methyl-phenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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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)N4CCOCC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2C[C@H](OC3=CC=CC=C32)C(=O)N4CCOCC4)F

InChI

InChI=1S/C21H22FN3O3S/c1-14-6-7-15(12-16(14)22)23-21(29)25-13-19(20(26)24-8-10-27-11-9-24)28-18-5-3-2-4-17(18)25/h2-7,12,19H,8-11,13H2,1H3,(H,23,29)/t19-/m0/s1