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

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)propanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)propanamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(3,4-dimethoxyphenyl)propanamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(3,4-dimethoxyphenyl)propionamide Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H24ClNO5S/c1-13(21(24)23-15-5-6-17(25-2)18(11-15)26-3)29-12-14-9-16(22)20-19(10-14)27-7-4-8-28-20/h5-6,9-11,13H,4,7-8,12H2,1-3H3,(H,23,24)