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

Systemtic Name: (2R)-4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-(2-morpholin-4-ium-4-ylethylthiocarbamoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C19H29N4O3S+ MolecularWeight: 393.52356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O3S/c1-2-7-20-18(24)17-14-23(15-5-3-4-6-16(15)26-17)19(27)21-8-9-22-10-12-25-13-11-22/h3-6,17H,2,7-14H2,1H3,(H,20,24)(H,21,27)/p+1/t17-/m1/s1