N-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butyl-2-methyl-phenyl)sulfanyl-N-(4-fluorophenyl)-3-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butyl-2-methyl-phenyl)sulfanyl-N-(4-fluorophenyl)-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butyl-2-methyl-phenyl)sulfanyl-N-(4-fluorophenyl)-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-tert-butyl-2-methylphenyl)thio]-N-(4-fluorophenyl)-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butyl-2-methylphenyl)sulfanyl-N-(4-fluorophenyl)-3-nitrobenzamide Traditional Name: 4-[(4-tert-butyl-2-methyl-phenyl)thio]-N-(4-fluorophenyl)-3-nitro-N-piperonyl-benzamide Formula: C32H29FN2O5S MolecularWeight: 572.646463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)SC2=C(C=C(C=C2)C(=O)N(CC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)SC2=C(C=C(C=C2)C(=O)N(CC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C32H29FN2O5S/c1-20-15-23(32(2,3)4)7-14-29(20)41-30-13-6-22(17-26(30)35(37)38)31(36)34(25-10-8-24(33)9-11-25)18-21-5-12-27-28(16-21)40-19-39-27/h5-17H,18-19H2,1-4H3