7-azanyl-6-cyano-9-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-8-azaspiro[4.5]deca-6,9-diene-10-carboxamide

Systemtic Name: 7-azanyl-6-cyano-9-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-8-azaspiro[4.5]deca-6,9-diene-10-carboxamide Openeye Name: 7-amino-6-cyano-9-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-8-azaspiro[4.5]deca-6,9-diene-10-carboxamide CAS Name: 7-amino-6-cyano-9-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-8-azaspiro[4.5]deca-6,9-diene-10-carboxamide IUPAC Name: 7-amino-6-cyano-9-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-8-azaspiro[4.5]deca-6,9-diene-10-carboxamide Traditional Name: 7-amino-6-cyano-9-[[2-keto-2-(p-anisidino)ethyl]thio]-8-azaspiro[4.5]deca-6,9-diene-10-carboxamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=C(C3(CCCC3)C(=C(N2)N)C#N)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=C(C3(CCCC3)C(=C(N2)N)C#N)C(=O)N

InChI

InChI=1S/C20H23N5O3S/c1-28-13-6-4-12(5-7-13)24-15(26)11-29-19-16(18(23)27)20(8-2-3-9-20)14(10-21)17(22)25-19/h4-7,25H,2-3,8-9,11,22H2,1H3,(H2,23,27)(H,24,26)