3-[3-oxidanylidene-4-(5-pyrazol-1-ylpentyl)-1,4-benzothiazin-2-yl]benzenecarboximidamide

Systemtic Name: 3-[3-oxidanylidene-4-(5-pyrazol-1-ylpentyl)-1,4-benzothiazin-2-yl]benzenecarboximidamide Openeye Name: 3-[3-oxo-4-(5-pyrazol-1-ylpentyl)-1,4-benzothiazin-2-yl]benzamidine CAS Name: 3-[3-oxo-4-[5-(1-pyrazolyl)pentyl]-1,4-benzothiazin-2-yl]benzenecarboximidamide IUPAC Name: 3-[3-oxo-4-(5-pyrazol-1-ylpentyl)-1,4-benzothiazin-2-yl]benzenecarboximidamide Traditional Name: 3-[3-keto-4-(5-pyrazol-1-ylpentyl)-1,4-benzothiazin-2-yl]benzamidine Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(S2)C3=CC=CC(=C3)C(=N)N)CCCCCN4C=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(S2)C3=CC=CC(=C3)C(=N)N)CCCCCN4C=CC=N4

InChI

InChI=1S/C23H25N5OS/c24-22(25)18-9-6-8-17(16-18)21-23(29)28(19-10-2-3-11-20(19)30-21)15-5-1-4-13-27-14-7-12-26-27/h2-3,6-12,14,16,21H,1,4-5,13,15H2,(H3,24,25)