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

Systemtic Name: 10-azanyl-8-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-11-cyano-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Openeye Name: 10-amino-8-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-11-cyano-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide CAS Name: 10-amino-8-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-11-cyano-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide IUPAC Name: 10-amino-8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-11-cyano-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Traditional Name: 10-amino-8-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-11-cyano-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(C(=NC(=C2C#N)N)SCC(=O)C3=CC=C(C=C3)Cl)C(=O)N

Isomeric SMILES

C1CCC2(CC1)C(C(=NC(=C2C#N)N)SCC(=O)C3=CC=C(C=C3)Cl)C(=O)N

InChI

InChI=1S/C20H21ClN4O2S/c21-13-6-4-12(5-7-13)15(26)11-28-19-16(18(24)27)20(8-2-1-3-9-20)14(10-22)17(23)25-19/h4-7,16H,1-3,8-9,11,23H2,(H2,24,27)