N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholino-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholinyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-homoveratryl-2-morpholino-1,3-benzothiazole-6-carboxamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-27-18-6-3-15(13-19(18)28-2)7-8-23-21(26)16-4-5-17-20(14-16)30-22(24-17)25-9-11-29-12-10-25/h3-6,13-14H,7-12H2,1-2H3,(H,23,26)