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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO3S/c1-2-15-6-3-4-7-17(15)22-19(23)13-26-12-14-10-16(21)20-18(11-14)24-8-5-9-25-20/h3-4,6-7,10-11H,2,5,8-9,12-13H2,1H3,(H,22,23)