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

Systemtic Name: 2-azanyl-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4-fluoranyl-benzamide Openeye Name: 2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4-fluoro-benzamide CAS Name: 2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-4-fluorobenzamide IUPAC Name: 2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4-fluorobenzamide Traditional Name: 2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]-4-fluoro-benzamide Formula: C22H26FN5OS MolecularWeight: 427.538143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=C(C=C(C=C2)F)N)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=C(C=C(C=C2)F)N)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C22H26FN5OS/c23-16-7-8-17(19(24)15-16)22(29)25-9-3-4-10-27-11-13-28(14-12-27)21-18-5-1-2-6-20(18)30-26-21/h1-2,5-8,15H,3-4,9-14,24H2,(H,25,29)