N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylene-3-oxo-isoindolin-2-yl)propanamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylene-3-oxo-2-isoindolyl)propanamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide Traditional Name: 3-(1-keto-3-methylene-isoindolin-2-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCN3C(=C)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCN3C(=C)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H17N3O2S/c1-12-6-5-9-16-18(12)22-20(26-16)21-17(24)10-11-23-13(2)14-7-3-4-8-15(14)19(23)25/h3-9H,2,10-11H2,1H3,(H,21,22,24)