(2S)-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide

Systemtic Name: (2S)-N-(3-methylsulfanylpropyl)-2-morpholin-4-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Openeye Name: (2S)-N-(3-methylsulfanylpropyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide CAS Name: (2S)-N-[3-(methylthio)propyl]-2-[4-morpholinyl(oxo)methyl]-2,3-dihydro-1,4-benzoxazine-4-carbothioamide IUPAC Name: (2S)-N-(3-methylsulfanylpropyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Traditional Name: (2S)-N-[3-(methylthio)propyl]-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Formula: C18H25N3O3S2 MolecularWeight: 395.5394

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CC(OC2=CC=CC=C21)C(=O)N3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3S2/c1-26-12-4-7-19-18(25)21-13-16(17(22)20-8-10-23-11-9-20)24-15-6-3-2-5-14(15)21/h2-3,5-6,16H,4,7-13H2,1H3,(H,19,25)/t16-/m0/s1