N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(1-methylene-3-oxo-isoindolin-2-yl)propanamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(1-methylene-3-oxo-2-isoindolyl)propanamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(1-keto-3-methylene-isoindolin-2-yl)propionamide Formula: C21H19N3O2S MolecularWeight: 377.45946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S/c1-12-8-9-13(2)19-18(12)23-21(27-19)22-17(25)10-11-24-14(3)15-6-4-5-7-16(15)20(24)26/h4-9H,3,10-11H2,1-2H3,(H,22,23,25)