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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2OS/c1-23-18-8-4-16(5-9-18)20(22-14-3-12-21-13-15-22)17-6-10-19(24-2)11-7-17/h4-11,20-21H,3,12-15H2,1-2H3