2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-ethanoylphenyl)propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-ethanoylphenyl)propanamide Openeye Name: N-(3-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide CAS Name: N-(3-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanamide IUPAC Name: N-(3-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Traditional Name: N-(3-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propionamide Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H21NO4S/c1-13(22)15-5-3-6-16(11-15)21-20(23)14(2)26-17-7-8-18-19(12-17)25-10-4-9-24-18/h3,5-8,11-12,14H,4,9-10H2,1-2H3,(H,21,23)