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

Systemtic Name: N-[4-[3-(1-imidazol-1-yl-4-naphthalen-1-yl-butan-2-yl)sulfanylpropyl]phenyl]ethanamide Openeye Name: N-[4-[3-[1-(imidazol-1-ylmethyl)-3-(1-naphthyl)propyl]sulfanylpropyl]phenyl]acetamide CAS Name: N-[4-[3-[[1-(1-imidazolyl)-4-(1-naphthalenyl)butan-2-yl]thio]propyl]phenyl]acetamide IUPAC Name: N-[4-[3-(1-imidazol-1-yl-4-naphthalen-1-ylbutan-2-yl)sulfanylpropyl]phenyl]acetamide Traditional Name: N-[4-[3-[[1-(imidazol-1-ylmethyl)-3-(1-naphthyl)propyl]thio]propyl]phenyl]acetamide Formula: C28H31N3OS MolecularWeight: 457.63024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CCCSC(CCC2=CC=CC3=CC=CC=C32)CN4C=CN=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CCCSC(CCC2=CC=CC3=CC=CC=C32)CN4C=CN=C4

InChI

InChI=1S/C28H31N3OS/c1-22(32)30-26-14-11-23(12-15-26)6-5-19-33-27(20-31-18-17-29-21-31)16-13-25-9-4-8-24-7-2-3-10-28(24)25/h2-4,7-12,14-15,17-18,21,27H,5-6,13,16,19-20H2,1H3,(H,30,32)