N-[[5-[2,6-bis(oxidanylidene)cyclohexyl]carbonyl-2-bromanyl-phenyl]methyl]pyrrolidine-1-carbothioamide

Systemtic Name: N-[[5-[2,6-bis(oxidanylidene)cyclohexyl]carbonyl-2-bromanyl-phenyl]methyl]pyrrolidine-1-carbothioamide Openeye Name: N-[[2-bromo-5-(2,6-dioxocyclohexanecarbonyl)phenyl]methyl]pyrrolidine-1-carbothioamide CAS Name: N-[[2-bromo-5-[(2,6-dioxocyclohexyl)-oxomethyl]phenyl]methyl]-1-pyrrolidinecarbothioamide IUPAC Name: N-[[2-bromo-5-(2,6-dioxocyclohexanecarbonyl)phenyl]methyl]pyrrolidine-1-carbothioamide Traditional Name: N-[2-bromo-5-(2,6-diketocyclohexanecarbonyl)benzyl]pyrrolidine-1-carbothioamide Formula: C19H21BrN2O3S MolecularWeight: 437.35064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)NCC2=C(C=CC(=C2)C(=O)C3C(=O)CCCC3=O)Br

Isomeric SMILES

C1CCN(C1)C(=S)NCC2=C(C=CC(=C2)C(=O)C3C(=O)CCCC3=O)Br

InChI

InChI=1S/C19H21BrN2O3S/c20-14-7-6-12(18(25)17-15(23)4-3-5-16(17)24)10-13(14)11-21-19(26)22-8-1-2-9-22/h6-7,10,17H,1-5,8-9,11H2,(H,21,26)