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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-ethanoylphenyl)-2-phenyl-ethanamide Openeye Name: N-(3-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-phenyl-acetamide CAS Name: N-(3-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-phenylacetamide IUPAC Name: N-(3-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-phenylacetamide Traditional Name: N-(3-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-phenyl-acetamide Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H23NO4S/c1-17(27)19-9-5-10-20(15-19)26-25(28)24(18-7-3-2-4-8-18)31-21-11-12-22-23(16-21)30-14-6-13-29-22/h2-5,7-12,15-16,24H,6,13-14H2,1H3,(H,26,28)