N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-4-morpholino-3-nitro-benzamide Formula: C20H22FN3O4S MolecularWeight: 419.469783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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