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

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(2-propan-2-ylphenyl)ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(2-isopropylphenyl)acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(2-propan-2-ylphenyl)acetamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(2-propan-2-ylphenyl)acetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-o-cumenyl-acetamide Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H24ClNO3S/c1-14(2)16-6-3-4-7-18(16)23-20(24)13-27-12-15-10-17(22)21-19(11-15)25-8-5-9-26-21/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3,(H,23,24)