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

Systemtic Name: 8-azanyl-7-cyano-10-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-9-azaspiro[5.5]undeca-8,10-diene-11-carboxamide Openeye Name: 8-amino-7-cyano-10-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-9-azaspiro[5.5]undeca-8,10-diene-11-carboxamide CAS Name: 8-amino-7-cyano-10-[[2-(4-methylanilino)-2-oxoethyl]thio]-9-azaspiro[5.5]undeca-8,10-diene-11-carboxamide IUPAC Name: 8-amino-7-cyano-10-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-9-azaspiro[5.5]undeca-8,10-diene-11-carboxamide Traditional Name: 8-amino-7-cyano-10-[[2-keto-2-(p-toluidino)ethyl]thio]-9-azaspiro[5.5]undeca-8,10-diene-11-carboxamide Formula: C21H25N5O2S MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2S/c1-13-5-7-14(8-6-13)25-16(27)12-29-20-17(19(24)28)21(9-3-2-4-10-21)15(11-22)18(23)26-20/h5-8,15H,2-4,9-10,12H2,1H3,(H2,23,26)(H2,24,28)(H,25,27)