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

Systemtic Name: N-[4-[3-(1-imidazol-1-yl-4-naphthalen-2-yl-butan-2-yl)sulfanylpropyl]phenyl]ethanamide Openeye Name: N-[4-[3-[1-(imidazol-1-ylmethyl)-3-(2-naphthyl)propyl]sulfanylpropyl]phenyl]acetamide CAS Name: N-[4-[3-[[1-(1-imidazolyl)-4-(2-naphthalenyl)butan-2-yl]thio]propyl]phenyl]acetamide IUPAC Name: N-[4-[3-(1-imidazol-1-yl-4-naphthalen-2-ylbutan-2-yl)sulfanylpropyl]phenyl]acetamide Traditional Name: N-[4-[3-[[1-(imidazol-1-ylmethyl)-3-(2-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=CC3=CC=CC=C3C=C2)CN4C=CN=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CCCSC(CCC2=CC3=CC=CC=C3C=C2)CN4C=CN=C4

InChI

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