2-[4-[2-(3,4-dimethoxyphenyl)sulfanylethanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[2-(3,4-dimethoxyphenyl)sulfanylethanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[2-[(3,4-dimethoxyphenyl)thio]-1-oxoethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[2-[(3,4-dimethoxyphenyl)thio]acetyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H33N3O4S/c1-31-22-10-9-21(17-23(22)32-2)33-19-25(30)28-14-6-13-27(15-16-28)18-24(29)26-12-11-20-7-4-3-5-8-20/h3-5,7-10,17H,6,11-16,18-19H2,1-2H3,(H,26,29)