N-ethyl-3-oxidanylidene-3-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: N-ethyl-3-oxidanylidene-3-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-ethyl-3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: N-ethyl-3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: N-ethyl-3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-ethyl-3-keto-3-(3-keto-4H-1,4-benzoxazin-6-yl)-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C18H18N3O3S+ MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)[N+]3=CC=CC=C3

Isomeric SMILES

CCNC(=S)C(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)[N+]3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S/c1-2-19-18(25)16(21-8-4-3-5-9-21)17(23)12-6-7-14-13(10-12)20-15(22)11-24-14/h3-10,16H,2,11H2,1H3,(H-,19,20,22,25)/p+1