7-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 7-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 7-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 7-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 7-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 7-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)CSC3=CC=CC=[N+]3[O-])NC(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)CSC3=CC=CC=[N+]3[O-])NC(=O)C1

InChI

InChI=1S/C17H16N2O3S/c20-15(11-23-17-6-1-2-9-19(17)22)13-7-8-14-12(10-13)4-3-5-16(21)18-14/h1-2,6-10H,3-5,11H2,(H,18,21)