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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)C

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)C

InChI

InChI=1S/C22H21N3O3S/c1-3-24(22-23-17-7-4-5-8-18(17)29-22)19(26)9-6-12-25-20(27)15-11-10-14(2)13-16(15)21(25)28/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3