(3,5-dimethoxy-4-phenylmethoxy-phenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3,5-dimethoxy-4-phenylmethoxy-phenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyloxy-3,5-dimethoxy-phenyl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3,5-dimethoxy-4-phenylmethoxyphenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3,5-dimethoxy-4-phenylmethoxyphenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-benzoxy-3,5-dimethoxy-phenyl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C26H30N2O4S/c1-30-23-16-21(17-24(31-2)25(23)32-19-20-8-4-3-5-9-20)26(29)28-12-7-11-27(13-14-28)18-22-10-6-15-33-22/h3-6,8-10,15-17H,7,11-14,18-19H2,1-2H3