5-bromanyl-N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide Openeye Name: 5-bromo-N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-N-[[2-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-(2-methoxyethoxy)benzamide IUPAC Name: 5-bromo-N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide Traditional Name: 5-bromo-N-[[2-(tert-butylcarbamoyl)phenyl]thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

InChI

InChI=1S/C22H26BrN3O4S/c1-22(2,3)26-20(28)15-7-5-6-8-17(15)24-21(31)25-19(27)16-13-14(23)9-10-18(16)30-12-11-29-4/h5-10,13H,11-12H2,1-4H3,(H,26,28)(H2,24,25,27,31)