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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O2S/c1-4-24-18-13-16(6-7-17(18)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