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

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(4-methoxyphenyl)propanamide Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(4-methoxyphenyl)propanamide CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(4-methoxyphenyl)propanamide IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(4-methoxyphenyl)propanamide Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(4-methoxyphenyl)propionamide Formula: C19H20BrNO4S MolecularWeight: 438.3354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO4S/c1-12(19(22)21-14-3-5-15(23-2)6-4-14)26-11-13-9-17-18(10-16(13)20)25-8-7-24-17/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,22)