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

Systemtic Name: 8-azanyl-7-cyano-10-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-9-azaspiro[5.5]undeca-8,10-diene-11-carboxamide Openeye Name: 8-amino-10-(2-anilino-2-oxo-ethyl)sulfanyl-7-cyano-9-azaspiro[5.5]undeca-8,10-diene-11-carboxamide CAS Name: 8-amino-10-[(2-anilino-2-oxoethyl)thio]-7-cyano-9-azaspiro[5.5]undeca-8,10-diene-11-carboxamide IUPAC Name: 8-amino-10-(2-anilino-2-oxoethyl)sulfanyl-7-cyano-9-azaspiro[5.5]undeca-8,10-diene-11-carboxamide Traditional Name: 8-amino-10-[(2-anilino-2-keto-ethyl)thio]-7-cyano-9-azaspiro[5.5]undeca-8,10-diene-11-carboxamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(C(=NC(=C2C(=O)N)SCC(=O)NC3=CC=CC=C3)N)C#N

Isomeric SMILES

C1CCC2(CC1)C(C(=NC(=C2C(=O)N)SCC(=O)NC3=CC=CC=C3)N)C#N

InChI

InChI=1S/C20H23N5O2S/c21-11-14-17(22)25-19(16(18(23)27)20(14)9-5-2-6-10-20)28-12-15(26)24-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-10,12H2,(H2,22,25)(H2,23,27)(H,24,26)