2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(4-bromanyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(4-bromanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-N-(4-bromo-2-methylphenyl)acetamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-(piperonylthio)acetamide Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H16BrNO3S/c1-11-6-13(18)3-4-14(11)19-17(20)9-23-8-12-2-5-15-16(7-12)22-10-21-15/h2-7H,8-10H2,1H3,(H,19,20)