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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-piperonyl-propionamide Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c1-11(25-14-5-3-13(4-6-14)19(21)22)17(20)18-9-12-2-7-15-16(8-12)24-10-23-15/h2-8,11H,9-10H2,1H3,(H,18,20)