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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]butanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide Traditional Name: 4-(methylthio)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-phthalimido-butyramide Formula: C21H19N3O3S3 MolecularWeight: 457.58886

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SC)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SC)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N3O3S3/c1-28-10-9-16(24-19(26)13-5-3-4-6-14(13)20(24)27)18(25)22-12-7-8-15-17(11-12)30-21(23-15)29-2/h3-8,11,16H,9-10H2,1-2H3,(H,22,25)