N-(1,3-benzothiazol-2-ylmethyl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(1,3-dioxo-2-isoindolyl)-4-methylpentanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-methyl-2-phthalimido-valeramide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)CC(C(=O)NCC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O3S/c1-13(2)11-17(25-21(27)14-7-3-4-8-15(14)22(25)28)20(26)23-12-19-24-16-9-5-6-10-18(16)29-19/h3-10,13,17H,11-12H2,1-2H3,(H,23,26)