1-[(3,4-diethoxyphenyl)-thiophen-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3,4-diethoxyphenyl)-thiophen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3,4-diethoxyphenyl)-(2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3,4-diethoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(3,4-diethoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3,4-diethoxyphenyl)-(2-thienyl)methyl]-1,4-diazepane Formula: C20H28N2O2S MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O2S/c1-3-23-17-9-8-16(15-18(17)24-4-2)20(19-7-5-14-25-19)22-12-6-10-21-11-13-22/h5,7-9,14-15,20-21H,3-4,6,10-13H2,1-2H3