N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-nitrophenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-nitrophenyl)methylsulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-nitrophenyl)methylthio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide Traditional Name: 2-[(4-nitrobenzyl)thio]-N-piperonyl-acetamide Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c20-17(10-25-9-12-1-4-14(5-2-12)19(21)22)18-8-13-3-6-15-16(7-13)24-11-23-15/h1-7H,8-11H2,(H,18,20)