N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methyl-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methyl-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-5-methyl-isoindolin-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C20H17N3O4S/c1-11-3-5-13-14(9-11)19(26)23(18(13)25)8-7-17(24)22-20-21-15-6-4-12(27-2)10-16(15)28-20/h3-6,9-10H,7-8H2,1-2H3,(H,21,22,24)