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

Systemtic Name: (2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-morpholin-4-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Openeye Name: (2S)-2-(morpholine-4-carbonyl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide CAS Name: (2S)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-[4-morpholinyl(oxo)methyl]-2,3-dihydro-1,4-benzoxazine-4-carbothioamide IUPAC Name: (2S)-2-(morpholine-4-carbonyl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Traditional Name: (2S)-2-(morpholine-4-carbonyl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Formula: C20H29N4O4S+ MolecularWeight: 421.53366

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)N2CC(OC3=CC=CC=C32)C(=O)N4CCOCC4

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)N2C[C@H](OC3=CC=CC=C32)C(=O)N4CCOCC4

InChI

InChI=1S/C20H28N4O4S/c25-19(23-9-13-27-14-10-23)18-15-24(16-3-1-2-4-17(16)28-18)20(29)21-5-6-22-7-11-26-12-8-22/h1-4,18H,5-15H2,(H,21,29)/p+1/t18-/m0/s1