(2R)-N-methyl-4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-N-methyl-4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-N-methyl-4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-N-methyl-4-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-N-methyl-4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-N-methyl-4-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C18H26N4O3S/c1-19-17(23)16-13-22(14-5-2-3-6-15(14)25-16)18(26)20-7-4-8-21-9-11-24-12-10-21/h2-3,5-6,16H,4,7-13H2,1H3,(H,19,23)(H,20,26)/p+1/t16-/m1/s1