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

Systemtic Name: 3-oxidanylidene-3-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-allyl-3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: 3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-prop-2-enyl-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: 3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-prop-2-enyl-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-allyl-3-keto-3-(3-keto-4H-1,4-benzoxazin-6-yl)-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C19H18N3O3S+ MolecularWeight: 368.42952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O3S/c1-2-8-20-19(26)17(22-9-4-3-5-10-22)18(24)13-6-7-15-14(11-13)21-16(23)12-25-15/h2-7,9-11,17H,1,8,12H2,(H-,20,21,23,26)/p+1