2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[2-(4-phenyl-1-piperazinyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[2-(4-phenylpiperazino)ethyl]nicotinamide Formula: C24H29N5O2S MolecularWeight: 451.58436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O2S/c1-18-22(19(2)31-27-18)17-32-24-21(9-6-10-26-24)23(30)25-11-12-28-13-15-29(16-14-28)20-7-4-3-5-8-20/h3-10H,11-17H2,1-2H3,(H,25,30)