4-cyano-N-[2-[4-(4-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide

Systemtic Name: 4-cyano-N-[2-[4-(4-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide Openeye Name: 4-cyano-N-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide CAS Name: 4-cyano-N-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 4-cyano-N-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide Traditional Name: 4-cyano-N-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazino]ethyl]benzamide Formula: C21H20FN5OS MolecularWeight: 409.479803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)C#N)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)C#N)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H20FN5OS/c22-17-2-1-3-18-19(17)25-21(29-18)27-12-10-26(11-13-27)9-8-24-20(28)16-6-4-15(14-23)5-7-16/h1-7H,8-13H2,(H,24,28)