N-(4-ethynyl-2,3-dimethyl-phenyl)-7-(2-methylpropyl)-9-thia-7-azaspiro[4.4]nonan-8-imine

Systemtic Name: N-(4-ethynyl-2,3-dimethyl-phenyl)-7-(2-methylpropyl)-9-thia-7-azaspiro[4.4]nonan-8-imine Openeye Name: N-(4-ethynyl-2,3-dimethyl-phenyl)-7-isobutyl-9-thia-7-azaspiro[4.4]nonan-8-imine CAS Name: N-(4-ethynyl-2,3-dimethylphenyl)-7-(2-methylpropyl)-9-thia-7-azaspiro[4.4]nonan-8-imine IUPAC Name: N-(4-ethynyl-2,3-dimethylphenyl)-7-(2-methylpropyl)-9-thia-7-azaspiro[4.4]nonan-8-imine Traditional Name: (4-ethynyl-2,3-dimethyl-phenyl)-(7-isobutyl-9-thia-7-azaspiro[4.4]nonan-8-ylidene)amine Formula: C21H28N2S MolecularWeight: 340.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)N=C2N(CC3(S2)CCCC3)CC(C)C)C#C

Isomeric SMILES

CC1=C(C=CC(=C1C)N=C2N(CC3(S2)CCCC3)CC(C)C)C#C

InChI

InChI=1S/C21H28N2S/c1-6-18-9-10-19(17(5)16(18)4)22-20-23(13-15(2)3)14-21(24-20)11-7-8-12-21/h1,9-10,15H,7-8,11-14H2,2-5H3