1-[(2-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-methoxyphenyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(2-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-methoxyphenyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane Formula: C20H26N2OS MolecularWeight: 342.49824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC=C(C=C2)SC)N3CCCNCC3

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC=C(C=C2)SC)N3CCCNCC3

InChI

InChI=1S/C20H26N2OS/c1-23-19-7-4-3-6-18(19)20(22-14-5-12-21-13-15-22)16-8-10-17(24-2)11-9-16/h3-4,6-11,20-21H,5,12-15H2,1-2H3