N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-piperonyl-acetamide Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5S/c19-16(9-24-13-4-2-12(3-5-13)18(20)21)17-8-11-1-6-14-15(7-11)23-10-22-14/h1-7H,8-10H2,(H,17,19)