5-bromanyl-2-propoxy-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-propoxy-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-propoxy-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[4-[oxo(propylamino)methyl]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-2-propoxy-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-propoxy-N-[[4-(propylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S/c1-3-11-23-19(26)14-5-8-16(9-6-14)24-21(29)25-20(27)17-13-15(22)7-10-18(17)28-12-4-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,26)(H2,24,25,27,29)