N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-3-carboxamide

Systemtic Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-3-carboxamide Openeye Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-3-carboxamide CAS Name: N-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-3-pyridinecarboxamide IUPAC Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-3-carboxamide Traditional Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]nicotinamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=CN=CC=C2)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=CN=CC=C2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C21H25N5OS/c27-21(17-6-5-9-22-16-17)23-10-3-4-11-25-12-14-26(15-13-25)20-18-7-1-2-8-19(18)28-24-20/h1-2,5-9,16H,3-4,10-15H2,(H,23,27)