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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CCSC)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CCSC)N3C(=O)C4=CC=CC=C4C3=O

InChI

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