N-(3-methylsulfanylphenyl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(3-methylsulfanylphenyl)-4-morpholino-3-nitro-benzamide CAS Name: N-[3-(methylthio)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[3-(methylthio)phenyl]-4-morpholino-3-nitro-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-26-15-4-2-3-14(12-15)19-18(22)13-5-6-16(17(11-13)21(23)24)20-7-9-25-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,19,22)