(E)-3-(3,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)prop-2-enamide

Systemtic Name: (E)-3-(3,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)prop-2-enamide Openeye Name: (E)-3-(3,5-dimethoxyphenyl)-N-(2-morpholino-1,3-benzothiazol-6-yl)prop-2-enamide CAS Name: (E)-3-(3,5-dimethoxyphenyl)-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-2-propenamide IUPAC Name: (E)-3-(3,5-dimethoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)prop-2-enamide Traditional Name: (E)-3-(3,5-dimethoxyphenyl)-N-(2-morpholino-1,3-benzothiazol-6-yl)acrylamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=CC(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C/C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)OC

InChI

InChI=1S/C22H23N3O4S/c1-27-17-11-15(12-18(14-17)28-2)3-6-21(26)23-16-4-5-19-20(13-16)30-22(24-19)25-7-9-29-10-8-25/h3-6,11-14H,7-10H2,1-2H3,(H,23,26)/b6-3+