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

Systemtic Name: N-[4-[(1-imidazol-1-yl-4-thiophen-2-yl-butan-2-yl)sulfanylmethyl]phenyl]ethanamide Openeye Name: N-[4-[[1-(imidazol-1-ylmethyl)-3-(2-thienyl)propyl]sulfanylmethyl]phenyl]acetamide CAS Name: N-[4-[[[1-(1-imidazolyl)-4-thiophen-2-ylbutan-2-yl]thio]methyl]phenyl]acetamide IUPAC Name: N-[4-[(1-imidazol-1-yl-4-thiophen-2-ylbutan-2-yl)sulfanylmethyl]phenyl]acetamide Traditional Name: N-[4-[[[1-(imidazol-1-ylmethyl)-3-(2-thienyl)propyl]thio]methyl]phenyl]acetamide Formula: C20H23N3OS2 MolecularWeight: 385.54612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CSC(CCC2=CC=CS2)CN3C=CN=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CSC(CCC2=CC=CS2)CN3C=CN=C3

InChI

InChI=1S/C20H23N3OS2/c1-16(24)22-18-6-4-17(5-7-18)14-26-20(13-23-11-10-21-15-23)9-8-19-3-2-12-25-19/h2-7,10-12,15,20H,8-9,13-14H2,1H3,(H,22,24)