N-[3-[4-(1,3-benzothiazol-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[3-[4-(1,3-benzothiazol-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[4-(1,3-benzothiazol-2-ylmethylamino)-1-piperidyl]phenyl]pyridine-3-carboxamide CAS Name: N-[3-[4-(1,3-benzothiazol-2-ylmethylamino)-1-piperidinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[4-(1,3-benzothiazol-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-[4-(1,3-benzothiazol-2-ylmethylamino)piperidino]phenyl]nicotinamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=NC3=CC=CC=C3S2)C4=CC(=CC=C4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1NCC2=NC3=CC=CC=C3S2)C4=CC(=CC=C4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C25H25N5OS/c31-25(18-5-4-12-26-16-18)28-20-6-3-7-21(15-20)30-13-10-19(11-14-30)27-17-24-29-22-8-1-2-9-23(22)32-24/h1-9,12,15-16,19,27H,10-11,13-14,17H2,(H,28,31)