1-[(3-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-methoxyphenyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(3-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-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(=C1)C(C2=CC=C(C=C2)SC)N3CCCNCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC=C(C=C2)SC)N3CCCNCC3

InChI

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