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

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

C1COC2=C(O1)C=CC(=C2)NC(=O)CCSCC3=CC=CC=C3Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CCSCC3=CC=CC=C3Br

InChI

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