5-bromanyl-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide Openeye Name: 5-bromo-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-N-[[3-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-(2-methoxyethoxy)benzamide IUPAC Name: 5-bromo-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide Traditional Name: 5-bromo-N-[[3-(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=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

Isomeric SMILES

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

InChI

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