N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(3-methylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(3-methylphenyl)methylsulfanyl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(m-tolylmethylsulfanyl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(3-methylphenyl)methylthio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(3-methylbenzyl)thio]acetamide Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21NO3S/c1-14-4-2-5-15(10-14)12-24-13-19(21)20-16-6-7-17-18(11-16)23-9-3-8-22-17/h2,4-7,10-11H,3,8-9,12-13H2,1H3,(H,20,21)