1-(4-cyclopropylcarbonylpiperazin-1-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone

Systemtic Name: 1-(4-cyclopropylcarbonylpiperazin-1-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone CAS Name: 1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]ethanone IUPAC Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(cyclopropanecarbonyl)piperazino]-2-[(4-methoxy-3-nitro-benzyl)thio]ethanone Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)N2CCN(CC2)C(=O)C3CC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)N2CCN(CC2)C(=O)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5S/c1-26-16-5-2-13(10-15(16)21(24)25)11-27-12-17(22)19-6-8-20(9-7-19)18(23)14-3-4-14/h2,5,10,14H,3-4,6-9,11-12H2,1H3