methyl 4-methylsulfanyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]butyric acid methyl ester Formula: C17H24N4O5S MolecularWeight: 396.46126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O5S/c1-26-16(22)15(7-12-27-2)18-17(23)20-10-8-19(9-11-20)13-3-5-14(6-4-13)21(24)25/h3-6,15H,7-12H2,1-2H3,(H,18,23)