N-(4,5-dimethoxy-2-nitro-phenyl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(4,5-dimethoxy-2-nitro-phenyl)-4-phenylsulfanyl-butanamide Openeye Name: N-(4,5-dimethoxy-2-nitro-phenyl)-4-phenylsulfanyl-butanamide CAS Name: N-(4,5-dimethoxy-2-nitrophenyl)-4-(phenylthio)butanamide IUPAC Name: N-(4,5-dimethoxy-2-nitrophenyl)-4-phenylsulfanylbutanamide Traditional Name: N-(4,5-dimethoxy-2-nitro-phenyl)-4-(phenylthio)butyramide Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC(=O)CCCSC2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)NC(=O)CCCSC2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O5S/c1-24-16-11-14(15(20(22)23)12-17(16)25-2)19-18(21)9-6-10-26-13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,19,21)