1-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-2-methyl-2-morpholin-4-yl-propan-1-one

Systemtic Name: 1-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-2-methyl-2-morpholin-4-yl-propan-1-one Openeye Name: 1-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-2-methyl-2-morpholino-propan-1-one CAS Name: 1-[4-(1H-benzimidazol-2-ylthio)phenyl]-2-methyl-2-(4-morpholinyl)-1-propanone IUPAC Name: 1-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one Traditional Name: 1-[4-(1H-benzimidazol-2-ylthio)phenyl]-2-methyl-2-morpholino-propan-1-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=C(C=C1)SC2=NC3=CC=CC=C3N2)N4CCOCC4

Isomeric SMILES

CC(C)(C(=O)C1=CC=C(C=C1)SC2=NC3=CC=CC=C3N2)N4CCOCC4

InChI

InChI=1S/C21H23N3O2S/c1-21(2,24-11-13-26-14-12-24)19(25)15-7-9-16(10-8-15)27-20-22-17-5-3-4-6-18(17)23-20/h3-10H,11-14H2,1-2H3,(H,22,23)