(2,6-dimethylmorpholin-4-yl)-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]methanone

Systemtic Name: (2,6-dimethylmorpholin-4-yl)-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]methanone Openeye Name: (2,6-dimethylmorpholin-4-yl)-(4-isopentylsulfanyl-3-nitro-phenyl)methanone CAS Name: (2,6-dimethyl-4-morpholinyl)-[4-(3-methylbutylthio)-3-nitrophenyl]methanone IUPAC Name: (2,6-dimethylmorpholin-4-yl)-[4-(3-methylbutylsulfanyl)-3-nitrophenyl]methanone Traditional Name: (2,6-dimethylmorpholino)-[4-(isoamylthio)-3-nitro-phenyl]methanone Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)C(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H26N2O4S/c1-12(2)7-8-25-17-6-5-15(9-16(17)20(22)23)18(21)19-10-13(3)24-14(4)11-19/h5-6,9,12-14H,7-8,10-11H2,1-4H3