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

Systemtic Name: N-[4-[[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylmethyl]phenyl]ethanamide Openeye Name: N-[4-[[1-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)propyl]sulfanylmethyl]phenyl]acetamide CAS Name: N-[4-[[[1-(1-imidazolyl)-4-(4-methoxyphenyl)butan-2-yl]thio]methyl]phenyl]acetamide IUPAC Name: N-[4-[[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylmethyl]phenyl]acetamide Traditional Name: N-[4-[[[1-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)propyl]thio]methyl]phenyl]acetamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-18(27)25-21-8-3-20(4-9-21)16-29-23(15-26-14-13-24-17-26)12-7-19-5-10-22(28-2)11-6-19/h3-6,8-11,13-14,17,23H,7,12,15-16H2,1-2H3,(H,25,27)