2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-phenyl-propanamide

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-phenyl-propanamide Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-phenyl-propanamide CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-phenylpropanamide IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-phenylpropanamide Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-phenyl-propionamide Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SCC2=CC3=C(C=C2Br)OCCO3

InChI

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