N-(4-bromophenyl)-2-[(7,11-dicyano-8-oxidanylidene-9-azaspiro[5.5]undec-10-en-10-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[(7,11-dicyano-8-oxidanylidene-9-azaspiro[5.5]undec-10-en-10-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[(7,11-dicyano-8-oxo-9-azaspiro[5.5]undec-10-en-10-yl)sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[(7,11-dicyano-8-oxo-9-azaspiro[5.5]undec-10-en-10-yl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[(7,11-dicyano-8-oxo-9-azaspiro[5.5]undec-10-en-10-yl)sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[(7,11-dicyano-8-keto-9-azaspiro[5.5]undec-10-en-10-yl)thio]acetamide Formula: C20H19BrN4O2S MolecularWeight: 459.35946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O2S/c21-13-4-6-14(7-5-13)24-17(26)12-28-19-16(11-23)20(8-2-1-3-9-20)15(10-22)18(27)25-19/h4-7,15H,1-3,8-9,12H2,(H,24,26)(H,25,27)