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

Systemtic Name: 8-azanyl-10-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-7-cyano-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide Openeye Name: 8-amino-10-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-7-cyano-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide CAS Name: 8-amino-10-[[2-(4-bromophenyl)-2-oxoethyl]thio]-7-cyano-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide IUPAC Name: 8-amino-10-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-7-cyano-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide Traditional Name: 8-amino-10-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-7-cyano-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O2S/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/h4-7,25H,1-3,8-9,11,23H2,(H2,24,27)