2-(1,3-benzothiazol-2-ylamino)-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one CAS Name: 2-(1,3-benzothiazol-2-ylamino)-1-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-1-propanone IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-1-[2-(2,5-dimethoxyphenyl)pyrrolidino]propan-1-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C2=C(C=CC(=C2)OC)OC)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)N1CCCC1C2=C(C=CC(=C2)OC)OC)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O3S/c1-14(23-22-24-17-7-4-5-9-20(17)29-22)21(26)25-12-6-8-18(25)16-13-15(27-2)10-11-19(16)28-3/h4-5,7,9-11,13-14,18H,6,8,12H2,1-3H3,(H,23,24)