2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3,5-dimethylphenyl)acetamide Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C19H21NO3S/c1-13-8-14(2)10-15(9-13)20-19(21)12-24-16-4-5-17-18(11-16)23-7-3-6-22-17/h4-5,8-11H,3,6-7,12H2,1-2H3,(H,20,21)