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

Systemtic Name: 4-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-1-morpholin-4-yl-butan-1-one Openeye Name: 4-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-1-morpholino-butan-1-one CAS Name: 4-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]-1-(4-morpholinyl)-1-butanone IUPAC Name: 4-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-1-morpholin-4-ylbutan-1-one Traditional Name: 4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]-1-morpholino-butan-1-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCCCC(=O)N4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCCCC(=O)N4CCOCC4

InChI

InChI=1S/C22H25N3O3S/c1-27-18-10-8-17(9-11-18)25-20-6-3-2-5-19(20)23-22(25)29-16-4-7-21(26)24-12-14-28-15-13-24/h2-3,5-6,8-11H,4,7,12-16H2,1H3