2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-1-morpholin-4-yl-ethanone Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-1-morpholino-ethanone CAS Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanyl-1-morpholin-4-ylethanone Traditional Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]-1-morpholino-ethanone Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCC(=O)N2CCOCC2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCC(=O)N2CCOCC2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N3O2S2/c1-15-16(13-28-21-22-17-6-2-3-7-18(17)23-21)5-4-8-19(15)27-14-20(25)24-9-11-26-12-10-24/h2-8H,9-14H2,1H3,(H,22,23)