N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]hexanamide

Systemtic Name: N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]hexanamide Openeye Name: N-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylphenyl]hexanamide CAS Name: N-[4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]phenyl]hexanamide IUPAC Name: N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylphenyl]hexanamide Traditional Name: N-[4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]hexanamide Formula: C25H30ClN3OS MolecularWeight: 456.0432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN3OS/c1-2-3-4-5-25(30)28-22-11-14-23(15-12-22)31-24(18-29-17-16-27-19-29)13-8-20-6-9-21(26)10-7-20/h6-7,9-12,14-17,19,24H,2-5,8,13,18H2,1H3,(H,28,30)