8-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-7-cyano-10-methyl-N-phenyl-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide

Systemtic Name: 8-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-7-cyano-10-methyl-N-phenyl-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide Openeye Name: 8-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-7-cyano-10-methyl-N-phenyl-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide CAS Name: 8-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-7-cyano-10-methyl-N-phenyl-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide IUPAC Name: 8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7-cyano-10-methyl-N-phenyl-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide Traditional Name: 8-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-7-cyano-10-methyl-N-phenyl-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide Formula: C27H26ClN3O2S MolecularWeight: 492.03224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2(CCCCC2)C(=C(N1)SCC(=O)C3=CC=C(C=C3)Cl)C#N)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2(CCCCC2)C(=C(N1)SCC(=O)C3=CC=C(C=C3)Cl)C#N)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H26ClN3O2S/c1-18-24(25(33)31-21-8-4-2-5-9-21)27(14-6-3-7-15-27)22(16-29)26(30-18)34-17-23(32)19-10-12-20(28)13-11-19/h2,4-5,8-13,30H,3,6-7,14-15,17H2,1H3,(H,31,33)