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

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

C1COC2=C(O1)C=C(C(=C2)Br)CSCCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSCCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H18BrNO3S/c19-15-11-17-16(22-7-8-23-17)10-13(15)12-24-9-6-18(21)20-14-4-2-1-3-5-14/h1-5,10-11H,6-9,12H2,(H,20,21)