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

Systemtic Name: N-[4-[(1-imidazol-1-yl-4-naphthalen-1-yl-butan-2-yl)sulfanylmethyl]phenyl]ethanamide Openeye Name: N-[4-[[1-(imidazol-1-ylmethyl)-3-(1-naphthyl)propyl]sulfanylmethyl]phenyl]acetamide CAS Name: N-[4-[[[1-(1-imidazolyl)-4-(1-naphthalenyl)butan-2-yl]thio]methyl]phenyl]acetamide IUPAC Name: N-[4-[(1-imidazol-1-yl-4-naphthalen-1-ylbutan-2-yl)sulfanylmethyl]phenyl]acetamide Traditional Name: N-[4-[[[1-(imidazol-1-ylmethyl)-3-(1-naphthyl)propyl]thio]methyl]phenyl]acetamide Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3OS/c1-20(30)28-24-12-9-21(10-13-24)18-31-25(17-29-16-15-27-19-29)14-11-23-7-4-6-22-5-2-3-8-26(22)23/h2-10,12-13,15-16,19,25H,11,14,17-18H2,1H3,(H,28,30)