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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromanyl-2-methyl-phenyl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-methyl-phenyl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromo-2-methylphenyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-methylphenyl)sulfanylacetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-piperonyl-acetamide Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

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