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

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-(1-pyrrolidinyl)-2-quinoxalinyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-(3-pyrrolidinoquinoxalin-2-yl)isonipecotamide Formula: C25H26N6O3S MolecularWeight: 490.57734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=CC=CC=C3N=C2NC(=O)C4CCN(CC4)C5=NS(=O)(=O)C6=CC=CC=C65

Isomeric SMILES

C1CCN(C1)C2=NC3=CC=CC=C3N=C2NC(=O)C4CCN(CC4)C5=NS(=O)(=O)C6=CC=CC=C65

InChI

InChI=1S/C25H26N6O3S/c32-25(28-22-24(30-13-5-6-14-30)27-20-9-3-2-8-19(20)26-22)17-11-15-31(16-12-17)23-18-7-1-4-10-21(18)35(33,34)29-23/h1-4,7-10,17H,5-6,11-16H2,(H,26,28,32)