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

Systemtic Name: N-[4-[2-(1-imidazol-1-yl-4-naphthalen-1-yl-butan-2-yl)sulfanylethyl]phenyl]ethanamide Openeye Name: N-[4-[2-[1-(imidazol-1-ylmethyl)-3-(1-naphthyl)propyl]sulfanylethyl]phenyl]acetamide CAS Name: N-[4-[2-[[1-(1-imidazolyl)-4-(1-naphthalenyl)butan-2-yl]thio]ethyl]phenyl]acetamide IUPAC Name: N-[4-[2-(1-imidazol-1-yl-4-naphthalen-1-ylbutan-2-yl)sulfanylethyl]phenyl]acetamide Traditional Name: N-[4-[2-[[1-(imidazol-1-ylmethyl)-3-(1-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=CC=CC3=CC=CC=C32)CN4C=CN=C4

Isomeric SMILES

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

InChI

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