3-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)OC

InChI

InChI=1S/C22H25N3O3S/c1-27-18-9-5-15(13-19(18)28-2)6-10-21(26)23-16-7-8-17-20(14-16)29-22(24-17)25-11-3-4-12-25/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H,23,26)