2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenyl-ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenyl-ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenyl-acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-ethoxyphenyl)-2-phenylacetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-o-phenetyl-2-phenyl-acetamide Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H25NO4S/c1-2-28-21-12-7-6-11-20(21)26-25(27)24(18-9-4-3-5-10-18)31-19-13-14-22-23(17-19)30-16-8-15-29-22/h3-7,9-14,17,24H,2,8,15-16H2,1H3,(H,26,27)