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

Systemtic Name: 8-azanyl-7-cyano-10-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide Openeye Name: 8-amino-7-cyano-10-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide CAS Name: 8-amino-7-cyano-10-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide IUPAC Name: 8-amino-7-cyano-10-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide Traditional Name: 8-amino-7-cyano-10-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=C(C3(CCCCC3)C(=C(N2)N)C#N)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=C(C3(CCCCC3)C(=C(N2)N)C#N)C(=O)N

InChI

InChI=1S/C21H24N4O3S/c1-28-14-7-5-13(6-8-14)16(26)12-29-20-17(19(24)27)21(9-3-2-4-10-21)15(11-22)18(23)25-20/h5-8,25H,2-4,9-10,12,23H2,1H3,(H2,24,27)