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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC(=C(C3(C2C(=O)N)CCCCC3)C#N)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NC(=C(C3(C2C(=O)N)CCCCC3)C#N)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/h5-8,17H,2-4,9-10,12,23H2,1H3,(H2,24,27)