1-[(2,3-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2,3-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,3-dimethoxyphenyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2,3-dimethoxyphenyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC=C(C=C2)SC)N3CCCNCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC=C(C=C2)SC)N3CCCNCC3

InChI

InChI=1S/C21H28N2O2S/c1-24-19-7-4-6-18(21(19)25-2)20(23-14-5-12-22-13-15-23)16-8-10-17(26-3)11-9-16/h4,6-11,20,22H,5,12-15H2,1-3H3