3-bromanyl-4-(2-methoxyethoxy)-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(2-methoxyethoxy)-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-(2-methoxyethoxy)-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methoxyethoxy)-N-[[4-[oxo(propylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methoxyethoxy)-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-(2-methoxyethoxy)-N-[[4-(propylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S/c1-3-10-23-19(26)14-4-7-16(8-5-14)24-21(30)25-20(27)15-6-9-18(17(22)13-15)29-12-11-28-2/h4-9,13H,3,10-12H2,1-2H3,(H,23,26)(H2,24,25,27,30)