3-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N-(4-methyl-2-nitro-phenyl)benzamide

Systemtic Name: 3-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N-(4-methyl-2-nitro-phenyl)benzamide Openeye Name: 3-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-2-nitro-phenyl)benzamide CAS Name: 3-(1,1-dioxo-2-thiazinanyl)-N-(4-methyl-2-nitrophenyl)benzamide IUPAC Name: 3-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-2-nitrophenyl)benzamide Traditional Name: 3-(1,1-diketothiazinan-2-yl)-N-(4-methyl-2-nitro-phenyl)benzamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)N3CCCCS3(=O)=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)N3CCCCS3(=O)=O)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-13-7-8-16(17(11-13)21(23)24)19-18(22)14-5-4-6-15(12-14)20-9-2-3-10-27(20,25)26/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,22)