N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-2-morpholino-5-nitro-benzamide Formula: C20H22FN3O4S MolecularWeight: 419.469783

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCSCC3=CC=CC=C3F

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCSCC3=CC=CC=C3F

InChI

InChI=1S/C20H22FN3O4S/c21-18-4-2-1-3-15(18)14-29-12-7-22-20(25)17-13-16(24(26)27)5-6-19(17)23-8-10-28-11-9-23/h1-6,13H,7-12,14H2,(H,22,25)