(2S)-N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide

Systemtic Name: (2S)-N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Openeye Name: (2S)-N-[(4-fluorophenyl)methyl]-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide CAS Name: (2S)-N-[(4-fluorophenyl)methyl]-2-[4-morpholinyl(oxo)methyl]-2,3-dihydro-1,4-benzoxazine-4-carbothioamide IUPAC Name: (2S)-N-[(4-fluorophenyl)methyl]-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Traditional Name: (2S)-N-(4-fluorobenzyl)-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:

C1COCCN1C(=O)C2CN(C3=CC=CC=C3O2)C(=S)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1COCCN1C(=O)[C@@H]2CN(C3=CC=CC=C3O2)C(=S)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O3S/c22-16-7-5-15(6-8-16)13-23-21(29)25-14-19(20(26)24-9-11-27-12-10-24)28-18-4-2-1-3-17(18)25/h1-8,19H,9-14H2,(H,23,29)/t19-/m0/s1