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

Systemtic Name: 2-azido-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide chloride Openeye Name: 2-azido-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide chloride CAS Name: 2-azido-N-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]benzamide chloride IUPAC Name: 2-azido-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide chloride Traditional Name: 2-azido-N-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]benzamide chloride Formula: C22H25ClN7OS- MolecularWeight: 470.9982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=CC=CC=C2N=[N+]=[N-])C3=NSC4=CC=CC=C43.[Cl-]

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=CC=CC=C2N=[N+]=[N-])C3=NSC4=CC=CC=C43.[Cl-]

InChI

InChI=1S/C22H25N7OS.ClH/c23-27-25-19-9-3-1-7-17(19)22(30)24-11-5-6-12-28-13-15-29(16-14-28)21-18-8-2-4-10-20(18)31-26-21;/h1-4,7-10H,5-6,11-16H2,(H,24,30);1H/p-1