1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1-methyl-2-benzimidazolyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]isonipecotamide Formula: C22H23N5O3S MolecularWeight: 437.51472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CNC(=O)C3CCN(CC3)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CNC(=O)C3CCN(CC3)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C22H23N5O3S/c1-26-18-8-4-3-7-17(18)24-20(26)14-23-22(28)15-10-12-27(13-11-15)21-16-6-2-5-9-19(16)31(29,30)25-21/h2-9,15H,10-14H2,1H3,(H,23,28)