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

Systemtic Name: (2S)-N-(3-ethylphenyl)-2-morpholin-4-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Openeye Name: (2S)-N-(3-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide CAS Name: (2S)-N-(3-ethylphenyl)-2-[4-morpholinyl(oxo)methyl]-2,3-dihydro-1,4-benzoxazine-4-carbothioamide IUPAC Name: (2S)-N-(3-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Traditional Name: (2S)-N-(3-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CC(OC3=CC=CC=C32)C(=O)N4CCOCC4

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2C[C@H](OC3=CC=CC=C32)C(=O)N4CCOCC4

InChI

InChI=1S/C22H25N3O3S/c1-2-16-6-5-7-17(14-16)23-22(29)25-15-20(21(26)24-10-12-27-13-11-24)28-19-9-4-3-8-18(19)25/h3-9,14,20H,2,10-13,15H2,1H3,(H,23,29)/t20-/m0/s1