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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C26H32N2O2S MolecularWeight: 436.60948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC(=CS2)C)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC(=CS2)C)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H32N2O2S/c1-3-29-24-17-22(10-11-23(24)30-18-21-8-5-4-6-9-21)26(25-16-20(2)19-31-25)28-14-7-12-27-13-15-28/h4-6,8-11,16-17,19,26-27H,3,7,12-15,18H2,1-2H3