4-morpholin-4-yl-3-nitro-N-(2-prop-2-enylsulfanylphenyl)benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-(2-prop-2-enylsulfanylphenyl)benzamide Openeye Name: N-(2-allylsulfanylphenyl)-4-morpholino-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[2-(prop-2-enylthio)phenyl]benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-(2-prop-2-enylsulfanylphenyl)benzamide Traditional Name: N-[2-(allylthio)phenyl]-4-morpholino-3-nitro-benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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