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

Systemtic Name: N-[4-[2-(1-imidazol-1-yl-4-naphthalen-2-yl-butan-2-yl)sulfanylethyl]phenyl]ethanamide Openeye Name: N-[4-[2-[1-(imidazol-1-ylmethyl)-3-(2-naphthyl)propyl]sulfanylethyl]phenyl]acetamide CAS Name: N-[4-[2-[[1-(1-imidazolyl)-4-(2-naphthalenyl)butan-2-yl]thio]ethyl]phenyl]acetamide IUPAC Name: N-[4-[2-(1-imidazol-1-yl-4-naphthalen-2-ylbutan-2-yl)sulfanylethyl]phenyl]acetamide Traditional Name: N-[4-[2-[[1-(imidazol-1-ylmethyl)-3-(2-naphthyl)propyl]thio]ethyl]phenyl]acetamide Formula: C27H29N3OS MolecularWeight: 443.60366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3OS/c1-21(31)29-26-11-7-22(8-12-26)14-17-32-27(19-30-16-15-28-20-30)13-9-23-6-10-24-4-2-3-5-25(24)18-23/h2-8,10-12,15-16,18,20,27H,9,13-14,17,19H2,1H3,(H,29,31)