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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[3-(4-phenyl-1-piperazinyl)propyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[3-(4-phenylpiperazino)propyl]nicotinamide Formula: C25H31N5O2S MolecularWeight: 465.61094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5O2S/c1-19-23(20(2)32-28-19)18-33-25-22(10-6-11-27-25)24(31)26-12-7-13-29-14-16-30(17-15-29)21-8-4-3-5-9-21/h3-6,8-11H,7,12-18H2,1-2H3,(H,26,31)