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

Systemtic Name: 11-cyano-10-[(4-cyanophenyl)methylsulfanyl]-8-methyl-N-phenyl-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Openeye Name: 11-cyano-10-[(4-cyanophenyl)methylsulfanyl]-8-methyl-N-phenyl-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide CAS Name: 11-cyano-10-[(4-cyanophenyl)methylthio]-8-methyl-N-phenyl-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide IUPAC Name: 11-cyano-10-[(4-cyanophenyl)methylsulfanyl]-8-methyl-N-phenyl-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Traditional Name: 11-cyano-10-[(4-cyanobenzyl)thio]-8-methyl-N-phenyl-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Formula: C27H26N4OS MolecularWeight: 454.58654

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4OS/c1-19-24(25(32)31-22-8-4-2-5-9-22)27(14-6-3-7-15-27)23(17-29)26(30-19)33-18-21-12-10-20(16-28)11-13-21/h2,4-5,8-13,24H,3,6-7,14-15,18H2,1H3,(H,31,32)