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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenethylsulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenethylsulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(phenethylthio)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenethylsulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(phenethylthio)acetamide Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSCCC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSCCC3=CC=CC=C3)OC1

InChI

InChI=1S/C19H21NO3S/c21-19(14-24-12-9-15-5-2-1-3-6-15)20-16-7-8-17-18(13-16)23-11-4-10-22-17/h1-3,5-8,13H,4,9-12,14H2,(H,20,21)