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

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(2,6-diethylphenyl)acetamide Formula: C22H26ClNO3S MolecularWeight: 419.96474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C22H26ClNO3S/c1-3-16-7-5-8-17(4-2)21(16)24-20(25)14-28-13-15-11-18(23)22-19(12-15)26-9-6-10-27-22/h5,7-8,11-12H,3-4,6,9-10,13-14H2,1-2H3,(H,24,25)