4-cyano-N-[2-[4-(6-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide

Systemtic Name: 4-cyano-N-[2-[4-(6-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide Openeye Name: 4-cyano-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide CAS Name: 4-cyano-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 4-cyano-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide Traditional Name: 4-cyano-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazino]ethyl]benzamide Formula: C21H20FN5OS MolecularWeight: 409.479803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)C#N)C3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)C#N)C3=NC4=C(S3)C=C(C=C4)F

InChI

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