1-[1,3-benzodioxol-5-yl-(4-methylsulfanylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-methylsulfanylphenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-[4-(methylthio)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-[4-(methylthio)phenyl]methyl]-1,4-diazepane Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

InChI

InChI=1S/C20H24N2O2S/c1-25-17-6-3-15(4-7-17)20(22-11-2-9-21-10-12-22)16-5-8-18-19(13-16)24-14-23-18/h3-8,13,20-21H,2,9-12,14H2,1H3