2-(3-methoxypropyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-(3-methoxypropyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-(3-methoxypropyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-(3-methoxypropyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-(3-methoxypropyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 1,3-diketo-2-(3-methoxypropyl)-N-(4-methyl-1,3-benzothiazol-2-yl)isoindoline-5-carboxamide Formula: C21H19N3O4S MolecularWeight: 409.45826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCCOC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCCOC

InChI

InChI=1S/C21H19N3O4S/c1-12-5-3-6-16-17(12)22-21(29-16)23-18(25)13-7-8-14-15(11-13)20(27)24(19(14)26)9-4-10-28-2/h3,5-8,11H,4,9-10H2,1-2H3,(H,22,23,25)