3-[4-[5-[di(propan-2-yl)amino]pentyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]benzenecarboximidamide

Systemtic Name: 3-[4-[5-[di(propan-2-yl)amino]pentyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[5-(diisopropylamino)pentyl]-3-oxo-1,4-benzothiazin-2-yl]benzamidine CAS Name: 3-[4-[5-[di(propan-2-yl)amino]pentyl]-3-oxo-1,4-benzothiazin-2-yl]benzenecarboximidamide IUPAC Name: 3-[4-[5-[di(propan-2-yl)amino]pentyl]-3-oxo-1,4-benzothiazin-2-yl]benzenecarboximidamide Traditional Name: 3-[4-[5-(diisopropylamino)pentyl]-3-keto-1,4-benzothiazin-2-yl]benzamidine Formula: C26H36N4OS MolecularWeight: 452.65524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCCCN1C2=CC=CC=C2SC(C1=O)C3=CC=CC(=C3)C(=N)N)C(C)C

Isomeric SMILES

CC(C)N(CCCCCN1C2=CC=CC=C2SC(C1=O)C3=CC=CC(=C3)C(=N)N)C(C)C

InChI

InChI=1S/C26H36N4OS/c1-18(2)29(19(3)4)15-8-5-9-16-30-22-13-6-7-14-23(22)32-24(26(30)31)20-11-10-12-21(17-20)25(27)28/h6-7,10-14,17-19,24H,5,8-9,15-16H2,1-4H3,(H3,27,28)