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

Systemtic Name: N-[4-[[1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl]sulfanylmethyl]phenyl]ethanamide Openeye Name: N-[4-[[1-(imidazol-1-ylmethyl)-3-(p-tolyl)propyl]sulfanylmethyl]phenyl]acetamide CAS Name: N-[4-[[[1-(1-imidazolyl)-4-(4-methylphenyl)butan-2-yl]thio]methyl]phenyl]acetamide IUPAC Name: N-[4-[[1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl]sulfanylmethyl]phenyl]acetamide Traditional Name: N-[4-[[[1-(imidazol-1-ylmethyl)-3-(p-tolyl)propyl]thio]methyl]phenyl]acetamide Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(CN2C=CN=C2)SCC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CCC(CN2C=CN=C2)SCC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C23H27N3OS/c1-18-3-5-20(6-4-18)9-12-23(15-26-14-13-24-17-26)28-16-21-7-10-22(11-8-21)25-19(2)27/h3-8,10-11,13-14,17,23H,9,12,15-16H2,1-2H3,(H,25,27)