N-(4-bromophenyl)-2-[(7,11-dicyano-3-methyl-8-oxidanylidene-9-azaspiro[5.5]undec-10-en-10-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[(7,11-dicyano-3-methyl-8-oxidanylidene-9-azaspiro[5.5]undec-10-en-10-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[(7,11-dicyano-3-methyl-8-oxo-9-azaspiro[5.5]undec-10-en-10-yl)sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[(7,11-dicyano-3-methyl-8-oxo-9-azaspiro[5.5]undec-10-en-10-yl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[(7,11-dicyano-3-methyl-8-oxo-9-azaspiro[5.5]undec-10-en-10-yl)sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[(7,11-dicyano-8-keto-3-methyl-9-azaspiro[5.5]undec-10-en-10-yl)thio]acetamide Formula: C21H21BrN4O2S MolecularWeight: 473.38604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CC1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C21H21BrN4O2S/c1-13-6-8-21(9-7-13)16(10-23)19(28)26-20(17(21)11-24)29-12-18(27)25-15-4-2-14(22)3-5-15/h2-5,13,16H,6-9,12H2,1H3,(H,25,27)(H,26,28)