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

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-2-morpholino-5-nitro-benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[2-(benzylthio)ethyl]-2-morpholino-5-nitro-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4S/c24-20(21-8-13-28-15-16-4-2-1-3-5-16)18-14-17(23(25)26)6-7-19(18)22-9-11-27-12-10-22/h1-7,14H,8-13,15H2,(H,21,24)