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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-methylphenyl)-2-phenyl-ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-phenyl-N-(p-tolyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-methylphenyl)-2-phenylacetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-methylphenyl)-2-phenylacetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-phenyl-N-(p-tolyl)acetamide Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H23NO3S/c1-17-8-10-19(11-9-17)25-24(26)23(18-6-3-2-4-7-18)29-20-12-13-21-22(16-20)28-15-5-14-27-21/h2-4,6-13,16,23H,5,14-15H2,1H3,(H,25,26)