(4-methylpiperazin-1-yl)-[4-(2-morpholin-4-ylethylsulfanyl)-3-nitro-phenyl]methanone

Systemtic Name: (4-methylpiperazin-1-yl)-[4-(2-morpholin-4-ylethylsulfanyl)-3-nitro-phenyl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[4-(2-morpholinoethylsulfanyl)-3-nitro-phenyl]methanone CAS Name: (4-methyl-1-piperazinyl)-[4-[2-(4-morpholinyl)ethylthio]-3-nitrophenyl]methanone IUPAC Name: (4-methylpiperazin-1-yl)-[4-(2-morpholin-4-ylethylsulfanyl)-3-nitrophenyl]methanone Traditional Name: (4-methylpiperazino)-[4-(2-morpholinoethylthio)-3-nitro-phenyl]methanone Formula: C18H26N4O4S MolecularWeight: 394.48844

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O4S/c1-19-4-6-21(7-5-19)18(23)15-2-3-17(16(14-15)22(24)25)27-13-10-20-8-11-26-12-9-20/h2-3,14H,4-13H2,1H3