N-(2-methoxy-5-nitro-phenyl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-4-phenylsulfanyl-butanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-4-phenylsulfanyl-butanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-4-(phenylthio)butanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-4-phenylsulfanylbutanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-4-(phenylthio)butyramide Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c1-23-16-10-9-13(19(21)22)12-15(16)18-17(20)8-5-11-24-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,18,20)