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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)NC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C3=O

InChI

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