N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylsulfanyl-N-(4-fluorophenyl)-3-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylsulfanyl-N-(4-fluorophenyl)-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylsulfanyl-N-(4-fluorophenyl)-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(tert-butylthio)-N-(4-fluorophenyl)-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylsulfanyl-N-(4-fluorophenyl)-3-nitrobenzamide Traditional Name: 4-(tert-butylthio)-N-(4-fluorophenyl)-3-nitro-N-piperonyl-benzamide Formula: C25H23FN2O5S MolecularWeight: 482.523923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(C=C(C=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)SC1=C(C=C(C=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C25H23FN2O5S/c1-25(2,3)34-23-11-5-17(13-20(23)28(30)31)24(29)27(19-8-6-18(26)7-9-19)14-16-4-10-21-22(12-16)33-15-32-21/h4-13H,14-15H2,1-3H3