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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide Formula: C24H22N2O5S MolecularWeight: 450.50688

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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)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O5S/c1-16-8-10-19(20(14-16)26(28)29)25-24(27)23(17-6-3-2-4-7-17)32-18-9-11-21-22(15-18)31-13-5-12-30-21/h2-4,6-11,14-15,23H,5,12-13H2,1H3,(H,25,27)