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

Systemtic Name: 8-azanyl-7-cyano-10-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-9-azaspiro[5.5]undeca-8,10-diene-11-carboxamide Openeye Name: 8-amino-7-cyano-10-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-9-azaspiro[5.5]undeca-8,10-diene-11-carboxamide CAS Name: 8-amino-7-cyano-10-[[2-(4-methylphenyl)-2-oxoethyl]thio]-9-azaspiro[5.5]undeca-8,10-diene-11-carboxamide IUPAC Name: 8-amino-7-cyano-10-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-9-azaspiro[5.5]undeca-8,10-diene-11-carboxamide Traditional Name: 8-amino-7-cyano-10-[[2-keto-2-(p-tolyl)ethyl]thio]-9-azaspiro[5.5]undeca-8,10-diene-11-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=C(C3(CCCCC3)C(C(=N2)N)C#N)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=C(C3(CCCCC3)C(C(=N2)N)C#N)C(=O)N

InChI

InChI=1S/C21H24N4O2S/c1-13-5-7-14(8-6-13)16(26)12-28-20-17(19(24)27)21(9-3-2-4-10-21)15(11-22)18(23)25-20/h5-8,15H,2-4,9-10,12H2,1H3,(H2,23,25)(H2,24,27)