4-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-1-morpholin-4-yl-butan-1-one

Systemtic Name: 4-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-1-morpholin-4-yl-butan-1-one Openeye Name: 1-morpholino-4-[1-(p-tolyl)benzimidazol-2-yl]sulfanyl-butan-1-one CAS Name: 4-[[1-(4-methylphenyl)-2-benzimidazolyl]thio]-1-(4-morpholinyl)-1-butanone IUPAC Name: 4-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-1-morpholin-4-ylbutan-1-one Traditional Name: 1-morpholino-4-[[1-(p-tolyl)benzimidazol-2-yl]thio]butan-1-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCCCC(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCCCC(=O)N4CCOCC4

InChI

InChI=1S/C22H25N3O2S/c1-17-8-10-18(11-9-17)25-20-6-3-2-5-19(20)23-22(25)28-16-4-7-21(26)24-12-14-27-15-13-24/h2-3,5-6,8-11H,4,7,12-16H2,1H3