N-(1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1,3-dioxo-2-(3-pyridylmethyl)isoindoline-5-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1,3-dioxo-2-(3-pyridinylmethyl)-5-isoindolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1,3-diketo-2-(3-pyridylmethyl)isoindoline-5-carboxamide Formula: C22H14N4O3S MolecularWeight: 414.43656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CN=CC=C5

InChI

InChI=1S/C22H14N4O3S/c27-19(25-22-24-17-5-1-2-6-18(17)30-22)14-7-8-15-16(10-14)21(29)26(20(15)28)12-13-4-3-9-23-11-13/h1-11H,12H2,(H,24,25,27)