4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-N-phenyl-benzamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-N-phenyl-benzamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-N-phenyl-benzamide CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-N-phenylbenzamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-N-phenylbenzamide Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-N-phenyl-benzamide Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)OC1

InChI

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