N-octyl-2-pyridin-4-ylsulfanyl-N-(quinolin-3-ylmethyl)ethanamide

Systemtic Name: N-octyl-2-pyridin-4-ylsulfanyl-N-(quinolin-3-ylmethyl)ethanamide Openeye Name: N-octyl-2-(4-pyridylsulfanyl)-N-(3-quinolylmethyl)acetamide CAS Name: N-octyl-2-(pyridin-4-ylthio)-N-(3-quinolinylmethyl)acetamide IUPAC Name: N-octyl-2-pyridin-4-ylsulfanyl-N-(quinolin-3-ylmethyl)acetamide Traditional Name: N-octyl-2-(4-pyridylthio)-N-(3-quinolylmethyl)acetamide Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CC1=CC2=CC=CC=C2N=C1)C(=O)CSC3=CC=NC=C3

Isomeric SMILES

CCCCCCCCN(CC1=CC2=CC=CC=C2N=C1)C(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C25H31N3OS/c1-2-3-4-5-6-9-16-28(25(29)20-30-23-12-14-26-15-13-23)19-21-17-22-10-7-8-11-24(22)27-18-21/h7-8,10-15,17-18H,2-6,9,16,19-20H2,1H3