2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-p-anisyl-acetamide Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21NO4S/c1-22-15-5-3-14(4-6-15)12-20-19(21)13-25-16-7-8-17-18(11-16)24-10-2-9-23-17/h3-8,11H,2,9-10,12-13H2,1H3,(H,20,21)