7-azanyl-6-cyano-9-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-8-azaspiro[4.5]deca-6,9-diene-10-carboxamide

Systemtic Name: 7-azanyl-6-cyano-9-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-8-azaspiro[4.5]deca-6,9-diene-10-carboxamide Openeye Name: 7-amino-6-cyano-9-[2-(2-methylanilino)-2-oxo-ethyl]sulfanyl-8-azaspiro[4.5]deca-6,9-diene-10-carboxamide CAS Name: 7-amino-6-cyano-9-[[2-(2-methylanilino)-2-oxoethyl]thio]-8-azaspiro[4.5]deca-6,9-diene-10-carboxamide IUPAC Name: 7-amino-6-cyano-9-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-8-azaspiro[4.5]deca-6,9-diene-10-carboxamide Traditional Name: 7-amino-6-cyano-9-[[2-keto-2-(o-toluidino)ethyl]thio]-8-azaspiro[4.5]deca-6,9-diene-10-carboxamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=C(C3(CCCC3)C(=C(N2)N)C#N)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=C(C3(CCCC3)C(=C(N2)N)C#N)C(=O)N

InChI

InChI=1S/C20H23N5O2S/c1-12-6-2-3-7-14(12)24-15(26)11-28-19-16(18(23)27)20(8-4-5-9-20)13(10-21)17(22)25-19/h2-3,6-7,25H,4-5,8-9,11,22H2,1H3,(H2,23,27)(H,24,26)