4-methylsulfanyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]butyric acid Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O5S/c1-26-11-6-14(15(21)22)17-16(23)19-9-7-18(8-10-19)12-2-4-13(5-3-12)20(24)25/h2-5,14H,6-11H2,1H3,(H,17,23)(H,21,22)