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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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