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

Systemtic Name: 9-cycloheptyl-N-(2-methyl-4-nitro-phenyl)-7-thia-9-azaspiro[4.4]nonan-8-imine Openeye Name: 9-cycloheptyl-N-(2-methyl-4-nitro-phenyl)-7-thia-9-azaspiro[4.4]nonan-8-imine CAS Name: 9-cycloheptyl-N-(2-methyl-4-nitrophenyl)-7-thia-9-azaspiro[4.4]nonan-8-imine IUPAC Name: 9-cycloheptyl-N-(2-methyl-4-nitrophenyl)-7-thia-9-azaspiro[4.4]nonan-8-imine Traditional Name: (9-cycloheptyl-7-thia-9-azaspiro[4.4]nonan-8-ylidene)-(2-methyl-4-nitro-phenyl)amine Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N=C2N(C3(CCCC3)CS2)C4CCCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N=C2N(C3(CCCC3)CS2)C4CCCCCC4

InChI

InChI=1S/C21H29N3O2S/c1-16-14-18(24(25)26)10-11-19(16)22-20-23(17-8-4-2-3-5-9-17)21(15-27-20)12-6-7-13-21/h10-11,14,17H,2-9,12-13,15H2,1H3