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

Systemtic Name: (2R)-4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S/c1-2-8-21-19(25)18-15-24(16-6-3-4-7-17(16)27-18)20(28)22-9-5-10-23-11-13-26-14-12-23/h3-4,6-7,18H,2,5,8-15H2,1H3,(H,21,25)(H,22,28)/p+1/t18-/m1/s1