N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxyphenyl]-N-hexyl-methanethioamide

Systemtic Name: N-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxyphenyl]-N-hexyl-methanethioamide Openeye Name: N-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]phenyl]-N-hexyl-thioformamide CAS Name: N-[4-[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]oxyphenyl]-N-hexylmethanethioamide IUPAC Name: N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-hexylmethanethioamide Traditional Name: N-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]phenyl]-N-hexyl-thioformamide Formula: C26H32ClN3OS MolecularWeight: 470.06978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C=S)C1=CC=C(C=C1)OC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

Isomeric SMILES

CCCCCCN(C=S)C1=CC=C(C=C1)OC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

InChI

InChI=1S/C26H32ClN3OS/c1-2-3-4-5-17-30(21-32)24-11-14-25(15-12-24)31-26(19-29-18-16-28-20-29)13-8-22-6-9-23(27)10-7-22/h6-7,9-12,14-16,18,20-21,26H,2-5,8,13,17,19H2,1H3