N-[4-[3-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylpropyl]phenyl]ethanamide

Systemtic Name: N-[4-[3-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylpropyl]phenyl]ethanamide Openeye Name: N-[4-[3-[1-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)propyl]sulfanylpropyl]phenyl]acetamide CAS Name: N-[4-[3-[[1-(1-imidazolyl)-4-(4-methoxyphenyl)butan-2-yl]thio]propyl]phenyl]acetamide IUPAC Name: N-[4-[3-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylpropyl]phenyl]acetamide Traditional Name: N-[4-[3-[[1-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)propyl]thio]propyl]phenyl]acetamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2S/c1-20(29)27-23-10-5-21(6-11-23)4-3-17-31-25(18-28-16-15-26-19-28)14-9-22-7-12-24(30-2)13-8-22/h5-8,10-13,15-16,19,25H,3-4,9,14,17-18H2,1-2H3,(H,27,29)