2-[(4-bromophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 2-[(4-bromophenyl)methylthio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 2-[(4-bromobenzyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrNO3S/c1-12(24-11-13-2-4-14(19)5-3-13)18(21)20-15-6-7-16-17(10-15)23-9-8-22-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,21)