5-bromanyl-2-ethoxy-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[3-[oxo(propylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[[3-(propylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3S/c1-3-10-22-18(25)13-6-5-7-15(11-13)23-20(28)24-19(26)16-12-14(21)8-9-17(16)27-4-2/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,25)(H2,23,24,26,28)