N-[2-(diethylamino)-3-phenyl-propyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[2-(diethylamino)-3-phenyl-propyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[2-(diethylamino)-3-phenyl-propyl]-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-[2-(diethylamino)-3-phenylpropyl]-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-[2-(diethylamino)-3-phenylpropyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-[2-(diethylamino)-3-phenyl-propyl]-2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CC1=CC=CC=C1)CNC(=O)C2=C(N=CC=C2)SCC3=C(ON=C3C)C

Isomeric SMILES

CCN(CC)C(CC1=CC=CC=C1)CNC(=O)C2=C(N=CC=C2)SCC3=C(ON=C3C)C

InChI

InChI=1S/C25H32N4O2S/c1-5-29(6-2)21(15-20-11-8-7-9-12-20)16-27-24(30)22-13-10-14-26-25(22)32-17-23-18(3)28-31-19(23)4/h7-14,21H,5-6,15-17H2,1-4H3,(H,27,30)