N-[(4-dimethylaminophenyl)methyl]-2-pentylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-pentylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-pentylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-(pentylthio)-3-pyridinecarboxamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-pentylsulfanylpyridine-3-carboxamide Traditional Name: 2-(amylthio)-N-[4-(dimethylamino)benzyl]nicotinamide Formula: C20H27N3OS MolecularWeight: 357.51288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NCC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)NCC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C20H27N3OS/c1-4-5-6-14-25-20-18(8-7-13-21-20)19(24)22-15-16-9-11-17(12-10-16)23(2)3/h7-13H,4-6,14-15H2,1-3H3,(H,22,24)