N-[4-[3-(1-imidazol-1-yl-4-thiophen-2-yl-butan-2-yl)sulfanylpropyl]phenyl]ethanamide

Systemtic Name: N-[4-[3-(1-imidazol-1-yl-4-thiophen-2-yl-butan-2-yl)sulfanylpropyl]phenyl]ethanamide Openeye Name: N-[4-[3-[1-(imidazol-1-ylmethyl)-3-(2-thienyl)propyl]sulfanylpropyl]phenyl]acetamide CAS Name: N-[4-[3-[[1-(1-imidazolyl)-4-thiophen-2-ylbutan-2-yl]thio]propyl]phenyl]acetamide IUPAC Name: N-[4-[3-(1-imidazol-1-yl-4-thiophen-2-ylbutan-2-yl)sulfanylpropyl]phenyl]acetamide Traditional Name: N-[4-[3-[[1-(imidazol-1-ylmethyl)-3-(2-thienyl)propyl]thio]propyl]phenyl]acetamide Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3OS2/c1-18(26)24-20-8-6-19(7-9-20)4-2-14-28-22(16-25-13-12-23-17-25)11-10-21-5-3-15-27-21/h3,5-9,12-13,15,17,22H,2,4,10-11,14,16H2,1H3,(H,24,26)