N-[4-[(1-imidazol-1-yl-4-phenyl-butan-2-yl)sulfanylmethyl]phenyl]ethanamide

Systemtic Name: N-[4-[(1-imidazol-1-yl-4-phenyl-butan-2-yl)sulfanylmethyl]phenyl]ethanamide Openeye Name: N-[4-[[1-(imidazol-1-ylmethyl)-3-phenyl-propyl]sulfanylmethyl]phenyl]acetamide CAS Name: N-[4-[[[1-(1-imidazolyl)-4-phenylbutan-2-yl]thio]methyl]phenyl]acetamide IUPAC Name: N-[4-[(1-imidazol-1-yl-4-phenylbutan-2-yl)sulfanylmethyl]phenyl]acetamide Traditional Name: N-[4-[[[1-(imidazol-1-ylmethyl)-3-phenyl-propyl]thio]methyl]phenyl]acetamide Formula: C22H25N3OS MolecularWeight: 379.5184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CSC(CCC2=CC=CC=C2)CN3C=CN=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CSC(CCC2=CC=CC=C2)CN3C=CN=C3

InChI

InChI=1S/C22H25N3OS/c1-18(26)24-21-10-7-20(8-11-21)16-27-22(15-25-14-13-23-17-25)12-9-19-5-3-2-4-6-19/h2-8,10-11,13-14,17,22H,9,12,15-16H2,1H3,(H,24,26)