1-[(2,6-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2,6-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,6-dimethoxyphenyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2,6-dimethoxyphenyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane Formula: C21H28N2O2S MolecularWeight: 372.52422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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