N-[2-acetamidosulfanyl-5-[3-(piperidin-1-ylmethyl)phenoxy]pentyl]pyridine-2-carboxamide

Systemtic Name: N-[2-acetamidosulfanyl-5-[3-(piperidin-1-ylmethyl)phenoxy]pentyl]pyridine-2-carboxamide Openeye Name: N-[2-acetamidosulfanyl-5-[3-(1-piperidylmethyl)phenoxy]pentyl]pyridine-2-carboxamide CAS Name: N-[2-(acetamidothio)-5-[3-(1-piperidinylmethyl)phenoxy]pentyl]-2-pyridinecarboxamide IUPAC Name: N-[2-acetamidosulfanyl-5-[3-(piperidin-1-ylmethyl)phenoxy]pentyl]pyridine-2-carboxamide Traditional Name: N-[2-(acetamidothio)-5-[3-(piperidinomethyl)phenoxy]pentyl]picolinamide Formula: C25H34N4O3S MolecularWeight: 470.62746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NSC(CCCOC1=CC=CC(=C1)CN2CCCCC2)CNC(=O)C3=CC=CC=N3

Isomeric SMILES

CC(=O)NSC(CCCOC1=CC=CC(=C1)CN2CCCCC2)CNC(=O)C3=CC=CC=N3

InChI

InChI=1S/C25H34N4O3S/c1-20(30)28-33-23(18-27-25(31)24-12-3-4-13-26-24)11-8-16-32-22-10-7-9-21(17-22)19-29-14-5-2-6-15-29/h3-4,7,9-10,12-13,17,23H,2,5-6,8,11,14-16,18-19H2,1H3,(H,27,31)(H,28,30)