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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(4-ethylphenyl)ethanamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(4-ethylphenyl)acetamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-(4-ethylphenyl)acetamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(4-ethylphenyl)acetamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-(4-ethylphenyl)acetamide Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C18H18BrNO3S/c1-2-12-3-5-14(6-4-12)20-18(21)10-24-9-13-7-16-17(8-15(13)19)23-11-22-16/h3-8H,2,9-11H2,1H3,(H,20,21)