4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-phthalimido-butyramide Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H17N3O3S2/c1-27-20-22-15-9-8-12(11-16(15)28-20)21-17(24)7-4-10-23-18(25)13-5-2-3-6-14(13)19(23)26/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,21,24)