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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)butanamide Openeye Name: 4-(3,4-dimethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)butanamide CAS Name: 4-(3,4-dimethoxyphenyl)-4-oxo-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]butanamide IUPAC Name: 4-(3,4-dimethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)butanamide Traditional Name: 4-(3,4-dimethoxyphenyl)-4-keto-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)butyramide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-29-19-9-5-15(13-20(19)30-2)18(27)8-10-22(28)24-16-6-7-17-21(14-16)31-23(25-17)26-11-3-4-12-26/h5-7,9,13-14H,3-4,8,10-12H2,1-2H3,(H,24,28)