N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-homopiperonyl-2-[(4-nitrophenyl)thio]acetamide Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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