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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-butanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(methylthio)butanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-methylsulfanylbutanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(methylthio)-2-phthalimido-butyramide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CCSC)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CCSC)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N3O3S2/c1-12-7-8-15-17(11-12)29-21(22-15)23-18(25)16(9-10-28-2)24-19(26)13-5-3-4-6-14(13)20(24)27/h3-8,11,16H,9-10H2,1-2H3,(H,22,23,25)