N-(3-methyl-4-nitro-phenyl)-9-(2-methylpropyl)-7-thia-9-azaspiro[4.4]nonan-8-imine

Systemtic Name: N-(3-methyl-4-nitro-phenyl)-9-(2-methylpropyl)-7-thia-9-azaspiro[4.4]nonan-8-imine Openeye Name: 9-isobutyl-N-(3-methyl-4-nitro-phenyl)-7-thia-9-azaspiro[4.4]nonan-8-imine CAS Name: N-(3-methyl-4-nitrophenyl)-9-(2-methylpropyl)-7-thia-9-azaspiro[4.4]nonan-8-imine IUPAC Name: N-(3-methyl-4-nitrophenyl)-9-(2-methylpropyl)-7-thia-9-azaspiro[4.4]nonan-8-imine Traditional Name: (9-isobutyl-7-thia-9-azaspiro[4.4]nonan-8-ylidene)-(3-methyl-4-nitro-phenyl)amine Formula: C18H25N3O2S MolecularWeight: 347.475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2S/c1-13(2)11-20-17(24-12-18(20)8-4-5-9-18)19-15-6-7-16(21(22)23)14(3)10-15/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3