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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NCC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NCC3=CC=CC=C3)OC1

InChI

InChI=1S/C18H19NO3S/c20-18(19-12-14-5-2-1-3-6-14)13-23-15-7-8-16-17(11-15)22-10-4-9-21-16/h1-3,5-8,11H,4,9-10,12-13H2,(H,19,20)