N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(3,4-dimethylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(3,4-dimethylphenyl)sulfanyl-ethanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(3,4-dimethylphenyl)sulfanyl-acetamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-[(3,4-dimethylphenyl)thio]acetamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(3,4-dimethylphenyl)sulfanylacetamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-[(3,4-dimethylphenyl)thio]acetamide Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3)C

InChI

InChI=1S/C20H22ClNO3S/c1-13-4-5-16(8-14(13)2)26-12-19(23)22-11-15-9-17(21)20-18(10-15)24-6-3-7-25-20/h4-5,8-10H,3,6-7,11-12H2,1-2H3,(H,22,23)