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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2S/c1-24-19-10-7-17(15-20(19)25-2)21(23-13-4-11-22-12-14-23)16-5-8-18(26-3)9-6-16/h5-10,15,21-22H,4,11-14H2,1-3H3