2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pentanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pentanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pentanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pentanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pentanamide Traditional Name: 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phthalimido-valeramide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O3S/c1-4-13(3)18(25-20(27)14-7-5-6-8-15(14)21(25)28)19(26)24-22-23-16-10-9-12(2)11-17(16)29-22/h5-11,13,18H,4H2,1-3H3,(H,23,24,26)