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

Systemtic Name: (2S)-N-[(2S)-2-ethylhexyl]-2-morpholin-4-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Openeye Name: (2S)-N-[(2S)-2-ethylhexyl]-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide CAS Name: (2S)-N-[(2S)-2-ethylhexyl]-2-[4-morpholinyl(oxo)methyl]-2,3-dihydro-1,4-benzoxazine-4-carbothioamide IUPAC Name: (2S)-N-[(2S)-2-ethylhexyl]-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Traditional Name: (2S)-N-[(2S)-2-ethylhexyl]-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Formula: C22H33N3O3S MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CC(OC2=CC=CC=C21)C(=O)N3CCOCC3

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N1C[C@H](OC2=CC=CC=C21)C(=O)N3CCOCC3

InChI

InChI=1S/C22H33N3O3S/c1-3-5-8-17(4-2)15-23-22(29)25-16-20(21(26)24-11-13-27-14-12-24)28-19-10-7-6-9-18(19)25/h6-7,9-10,17,20H,3-5,8,11-16H2,1-2H3,(H,23,29)/t17-,20-/m0/s1