11-cyano-8-methyl-N-phenyl-10-(phenylmethylsulfanyl)-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide

Systemtic Name: 11-cyano-8-methyl-N-phenyl-10-(phenylmethylsulfanyl)-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Openeye Name: 10-benzylsulfanyl-11-cyano-8-methyl-N-phenyl-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide CAS Name: 11-cyano-8-methyl-N-phenyl-10-(phenylmethylthio)-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide IUPAC Name: 10-benzylsulfanyl-11-cyano-8-methyl-N-phenyl-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Traditional Name: 10-(benzylthio)-11-cyano-8-methyl-N-phenyl-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C2(C1C(=O)NC3=CC=CC=C3)CCCCC2)C#N)SCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=C(C2(C1C(=O)NC3=CC=CC=C3)CCCCC2)C#N)SCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3OS/c1-19-23(24(30)29-21-13-7-3-8-14-21)26(15-9-4-10-16-26)22(17-27)25(28-19)31-18-20-11-5-2-6-12-20/h2-3,5-8,11-14,23H,4,9-10,15-16,18H2,1H3,(H,29,30)