2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-(4-fluorophenyl)acetamide Formula: C16H13BrFNO3S MolecularWeight: 398.246723

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSCC(=O)NC3=CC=C(C=C3)F)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSCC(=O)NC3=CC=C(C=C3)F)Br

InChI

InChI=1S/C16H13BrFNO3S/c17-13-6-15-14(21-9-22-15)5-10(13)7-23-8-16(20)19-12-3-1-11(18)2-4-12/h1-6H,7-9H2,(H,19,20)