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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,4-dimethylphenyl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,4-dimethylphenyl)sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2,4-dimethylphenyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2,4-dimethylphenyl)thio]acetamide Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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