N-[2-acetamido-4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanyl-phenyl]ethanamide

Systemtic Name: N-[2-acetamido-4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanyl-phenyl]ethanamide Openeye Name: N-[2-acetamido-4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanyl-phenyl]acetamide CAS Name: N-[2-acetamido-4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]phenyl]acetamide IUPAC Name: N-[2-acetamido-4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylphenyl]acetamide Traditional Name: N-[2-acetamido-4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]acetamide Formula: C23H25ClN4O2S MolecularWeight: 456.9882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)NC(=O)C

InChI

InChI=1S/C23H25ClN4O2S/c1-16(29)26-22-10-9-20(13-23(22)27-17(2)30)31-21(14-28-12-11-25-15-28)8-5-18-3-6-19(24)7-4-18/h3-4,6-7,9-13,15,21H,5,8,14H2,1-2H3,(H,26,29)(H,27,30)