N-(4-methylsulfanylphenyl)-4-[(4-nitrophenyl)amino]butanamide

Systemtic Name: N-(4-methylsulfanylphenyl)-4-[(4-nitrophenyl)amino]butanamide Openeye Name: N-(4-methylsulfanylphenyl)-4-(4-nitroanilino)butanamide CAS Name: N-[4-(methylthio)phenyl]-4-(4-nitroanilino)butanamide IUPAC Name: N-(4-methylsulfanylphenyl)-4-(4-nitroanilino)butanamide Traditional Name: N-[4-(methylthio)phenyl]-4-(4-nitroanilino)butyramide Formula: C17H19N3O3S MolecularWeight: 345.41606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3S/c1-24-16-10-6-14(7-11-16)19-17(21)3-2-12-18-13-4-8-15(9-5-13)20(22)23/h4-11,18H,2-3,12H2,1H3,(H,19,21)