4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindolin-2-yl)butanamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-phthalimido-butyramide Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C21H19N3O5S/c1-28-15-10-14-17(11-16(15)29-2)30-21(22-14)23-18(25)8-5-9-24-19(26)12-6-3-4-7-13(12)20(24)27/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,22,23,25)