(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-2-phenylsulfanyl-ethanamide

Systemtic Name: (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-2-phenylsulfanyl-ethanamide Openeye Name: (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-2-phenylsulfanyl-acetamide CAS Name: (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-2-(phenylthio)acetamide IUPAC Name: (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-2-phenylsulfanylacetamide Traditional Name: (2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-2-(phenylthio)acetamide Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)[C@@H](C3=CC=CC=C3)SC4=CC=CC=C4)OC1

InChI

InChI=1S/C23H21NO3S/c25-23(24-18-12-13-20-21(16-18)27-15-7-14-26-20)22(17-8-3-1-4-9-17)28-19-10-5-2-6-11-19/h1-6,8-13,16,22H,7,14-15H2,(H,24,25)/t22-/m1/s1