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

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3)C

InChI

InChI=1S/C21H24ClNO3S/c1-3-16-7-4-6-14(2)20(16)23-19(24)13-27-12-15-10-17(22)21-18(11-15)25-8-5-9-26-21/h4,6-7,10-11H,3,5,8-9,12-13H2,1-2H3,(H,23,24)