1-[(3,4-diethoxyphenyl)-thiophen-3-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3,4-diethoxyphenyl)-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3,4-diethoxyphenyl)-(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3,4-diethoxyphenyl)-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,4-diethoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3,4-diethoxyphenyl)-(3-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=CSC=C2)N3CCCNCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CSC=C2)N3CCCNCC3)OCC

InChI

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