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

Systemtic Name: 3-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N-(2-cyano-4-nitro-phenyl)-4-methyl-benzamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methyl-benzamide CAS Name: N-(2-cyano-4-nitrophenyl)-3-(1,1-dioxo-2-thiazinanyl)-4-methylbenzamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-3-(1,1-diketothiazinan-2-yl)-4-methyl-benzamide Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)N3CCCCS3(=O)=O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)N3CCCCS3(=O)=O

InChI

InChI=1S/C19H18N4O5S/c1-13-4-5-14(11-18(13)22-8-2-3-9-29(22,27)28)19(24)21-17-7-6-16(23(25)26)10-15(17)12-20/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,24)