N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(5-methyl-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(1,3-diketo-5-methyl-isoindolin-2-yl)butyramide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O3S/c1-14-8-9-15-16(13-14)22(28)25(21(15)27)12-4-7-19(26)23-11-10-20-24-17-5-2-3-6-18(17)29-20/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,23,26)