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

Systemtic Name: (2R)-N-methyl-4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-N-methyl-4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-N-methyl-4-[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-N-methyl-4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-N-methyl-4-(2-morpholin-4-ium-4-ylethylthiocarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3S/c1-18-16(22)15-12-21(13-4-2-3-5-14(13)24-15)17(25)19-6-7-20-8-10-23-11-9-20/h2-5,15H,6-12H2,1H3,(H,18,22)(H,19,25)/p+1/t15-/m1/s1