N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(4-ethoxyphenyl)sulfanyl-ethanamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(4-ethoxyphenyl)sulfanyl-ethanamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(4-ethoxyphenyl)sulfanyl-acetamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-[(4-ethoxyphenyl)thio]acetamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(p-phenetylthio)acetamide Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H25NO4S/c1-3-24-17-6-8-18(9-7-17)27-14-21(23)22-15(2)16-5-10-19-20(13-16)26-12-4-11-25-19/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,22,23)