4-[4-[5-(2,5-dimethylimidazol-1-yl)pentyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]benzamide

Systemtic Name: 4-[4-[5-(2,5-dimethylimidazol-1-yl)pentyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]benzamide Openeye Name: 4-[4-[5-(2,5-dimethylimidazol-1-yl)pentyl]-3-oxo-1,4-benzothiazin-2-yl]benzamide CAS Name: 4-[4-[5-(2,5-dimethyl-1-imidazolyl)pentyl]-3-oxo-1,4-benzothiazin-2-yl]benzamide IUPAC Name: 4-[4-[5-(2,5-dimethylimidazol-1-yl)pentyl]-3-oxo-1,4-benzothiazin-2-yl]benzamide Traditional Name: 4-[4-[5-(2,5-dimethylimidazol-1-yl)pentyl]-3-keto-1,4-benzothiazin-2-yl]benzamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N1CCCCCN2C3=CC=CC=C3SC(C2=O)C4=CC=C(C=C4)C(=O)N)C

Isomeric SMILES

CC1=CN=C(N1CCCCCN2C3=CC=CC=C3SC(C2=O)C4=CC=C(C=C4)C(=O)N)C

InChI

InChI=1S/C25H28N4O2S/c1-17-16-27-18(2)28(17)14-6-3-7-15-29-21-8-4-5-9-22(21)32-23(25(29)31)19-10-12-20(13-11-19)24(26)30/h4-5,8-13,16,23H,3,6-7,14-15H2,1-2H3,(H2,26,30)