2-(2-fluorophenyl)sulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitro-benzamide

Systemtic Name: 2-(2-fluorophenyl)sulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitro-benzamide Openeye Name: 2-(2-fluorophenyl)sulfanyl-N-[[3-(morpholinomethyl)phenyl]methyl]-5-nitro-benzamide CAS Name: 2-[(2-fluorophenyl)thio]-N-[[3-(4-morpholinylmethyl)phenyl]methyl]-5-nitrobenzamide IUPAC Name: 2-(2-fluorophenyl)sulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide Traditional Name: 2-[(2-fluorophenyl)thio]-N-[3-(morpholinomethyl)benzyl]-5-nitro-benzamide Formula: C25H24FN3O4S MolecularWeight: 481.539163

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=CC=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4F

Isomeric SMILES

C1COCCN1CC2=CC(=CC=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4F

InChI

InChI=1S/C25H24FN3O4S/c26-22-6-1-2-7-24(22)34-23-9-8-20(29(31)32)15-21(23)25(30)27-16-18-4-3-5-19(14-18)17-28-10-12-33-13-11-28/h1-9,14-15H,10-13,16-17H2,(H,27,30)