3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide

Systemtic Name: 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide Openeye Name: 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide CAS Name: 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-N-(3-cyanophenyl)propanamide IUPAC Name: 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide Traditional Name: 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]-N-(3-cyanophenyl)propionamide Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)CCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)CCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H25N5OS/c1-17(23-26-20-7-2-3-8-21(20)30-23)28-13-11-27(12-14-28)10-9-22(29)25-19-6-4-5-18(15-19)16-24/h2-8,15,17H,9-14H2,1H3,(H,25,29)