2-morpholin-4-yl-5-nitro-N-(2-prop-2-enylsulfanylphenyl)benzamide

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-(2-prop-2-enylsulfanylphenyl)benzamide Openeye Name: N-(2-allylsulfanylphenyl)-2-morpholino-5-nitro-benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[2-(prop-2-enylthio)phenyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-(2-prop-2-enylsulfanylphenyl)benzamide Traditional Name: N-[2-(allylthio)phenyl]-2-morpholino-5-nitro-benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C20H21N3O4S/c1-2-13-28-19-6-4-3-5-17(19)21-20(24)16-14-15(23(25)26)7-8-18(16)22-9-11-27-12-10-22/h2-8,14H,1,9-13H2,(H,21,24)