1-[(4-ethoxy-3-methoxy-phenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C20H28N2O2S MolecularWeight: 360.51352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC(=CS2)C)N3CCCNCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC(=CS2)C)N3CCCNCC3)OC

InChI

InChI=1S/C20H28N2O2S/c1-4-24-17-7-6-16(13-18(17)23-3)20(19-12-15(2)14-25-19)22-10-5-8-21-9-11-22/h6-7,12-14,20-21H,4-5,8-11H2,1-3H3