2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C20H23NO3S/c1-3-15-7-4-6-14(2)20(15)21-19(22)13-25-16-8-9-17-18(12-16)24-11-5-10-23-17/h4,6-9,12H,3,5,10-11,13H2,1-2H3,(H,21,22)