3-(1,3-benzothiazol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]propionamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CCC2=NC3=CC=CC=C3S2)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)CCC2=NC3=CC=CC=C3S2)N4CCCC4

InChI

InChI=1S/C23H27N3O2S/c1-28-18-10-8-17(9-11-18)20(26-14-4-5-15-26)16-24-22(27)12-13-23-25-19-6-2-3-7-21(19)29-23/h2-3,6-11,20H,4-5,12-16H2,1H3,(H,24,27)