N-(2-methyl-4-nitro-phenyl)-9-(oxan-2-ylmethyl)-7-thia-9-azaspiro[4.4]nonan-8-imine

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-9-(oxan-2-ylmethyl)-7-thia-9-azaspiro[4.4]nonan-8-imine Openeye Name: N-(2-methyl-4-nitro-phenyl)-9-(tetrahydropyran-2-ylmethyl)-7-thia-9-azaspiro[4.4]nonan-8-imine CAS Name: N-(2-methyl-4-nitrophenyl)-9-(2-oxanylmethyl)-7-thia-9-azaspiro[4.4]nonan-8-imine IUPAC Name: N-(2-methyl-4-nitrophenyl)-9-(oxan-2-ylmethyl)-7-thia-9-azaspiro[4.4]nonan-8-imine Traditional Name: (2-methyl-4-nitro-phenyl)-[9-(tetrahydropyran-2-ylmethyl)-7-thia-9-azaspiro[4.4]nonan-8-ylidene]amine Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N=C2N(C3(CCCC3)CS2)CC4CCCCO4

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N=C2N(C3(CCCC3)CS2)CC4CCCCO4

InChI

InChI=1S/C20H27N3O3S/c1-15-12-16(23(24)25)7-8-18(15)21-19-22(13-17-6-2-5-11-26-17)20(14-27-19)9-3-4-10-20/h7-8,12,17H,2-6,9-11,13-14H2,1H3