(phenylmethyl) N-(1-oxidanidylpyridin-1-ium-2-yl)-N-[3-(3-oxidanylidene-7-sulfanylidene-8H-1,4-benzoxazin-4-yl)propyl]carbamate

Systemtic Name: (phenylmethyl) N-(1-oxidanidylpyridin-1-ium-2-yl)-N-[3-(3-oxidanylidene-7-sulfanylidene-8H-1,4-benzoxazin-4-yl)propyl]carbamate Openeye Name: benzyl N-(1-oxidopyridin-1-ium-2-yl)-N-[3-(3-oxo-7-thioxo-8H-1,4-benzoxazin-4-yl)propyl]carbamate CAS Name: N-(1-oxido-2-pyridin-1-iumyl)-N-[3-(3-oxo-7-sulfanylidene-8H-1,4-benzoxazin-4-yl)propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(1-oxidopyridin-1-ium-2-yl)-N-[3-(3-oxo-7-sulfanylidene-8H-1,4-benzoxazin-4-yl)propyl]carbamate Traditional Name: N-[3-(3-keto-7-thioxo-8H-1,4-benzoxazin-4-yl)propyl]-N-(1-oxidopyridin-1-ium-2-yl)carbamic acid benzyl ester Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=S)C=CC2=C1OCC(=O)N2CCCN(C3=CC=CC=[N+]3[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C(=S)C=CC2=C1OCC(=O)N2CCCN(C3=CC=CC=[N+]3[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O5S/c28-23-17-31-21-15-19(33)10-11-20(21)25(23)12-6-13-26(22-9-4-5-14-27(22)30)24(29)32-16-18-7-2-1-3-8-18/h1-5,7-11,14H,6,12-13,15-17H2