N-[(2S)-4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]-2-phenoxy-acetamide CAS Name: N-[(2S)-4-(methylthio)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxobutan-2-yl]-2-phenoxyacetamide IUPAC Name: N-[(2S)-4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-phenoxyacetamide Traditional Name: N-[(1S)-3-(methylthio)-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]-2-phenoxy-acetamide Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O5S/c1-33-16-11-21(24-22(28)17-32-20-5-3-2-4-6-20)23(29)26-14-12-25(13-15-26)18-7-9-19(10-8-18)27(30)31/h2-10,21H,11-17H2,1H3,(H,24,28)/t21-/m0/s1