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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2(CCCCC2)C(=C(N1)SCC3=CC=C(C=C3)Br)C#N)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2(CCCCC2)C(=C(N1)SCC3=CC=C(C=C3)Br)C#N)C(=O)NC4=CC=CC=C4

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/h2,4-5,8-13,29H,3,6-7,14-15,17H2,1H3,(H,30,31)