10-[(4-bromophenyl)methylsulfanyl]-11-cyano-8-methyl-N-phenyl-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide

Systemtic Name: 10-[(4-bromophenyl)methylsulfanyl]-11-cyano-8-methyl-N-phenyl-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Openeye Name: 10-[(4-bromophenyl)methylsulfanyl]-11-cyano-8-methyl-N-phenyl-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide CAS Name: 10-[(4-bromophenyl)methylthio]-11-cyano-8-methyl-N-phenyl-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide IUPAC Name: 10-[(4-bromophenyl)methylsulfanyl]-11-cyano-8-methyl-N-phenyl-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Traditional Name: 10-[(4-bromobenzyl)thio]-11-cyano-8-methyl-N-phenyl-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Formula: C26H26BrN3OS MolecularWeight: 508.47314

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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=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN3OS/c1-18-23(24(31)30-21-8-4-2-5-9-21)26(14-6-3-7-15-26)22(16-28)25(29-18)32-17-19-10-12-20(27)13-11-19/h2,4-5,8-13,23H,3,6-7,14-15,17H2,1H3,(H,30,31)