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

Systemtic Name: 5-bromanyl-2-methoxy-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[3-[oxo(propylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[[3-(propylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C19H20BrN3O3S MolecularWeight: 450.3494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O3S/c1-3-9-21-17(24)12-5-4-6-14(10-12)22-19(27)23-18(25)15-11-13(20)7-8-16(15)26-2/h4-8,10-11H,3,9H2,1-2H3,(H,21,24)(H2,22,23,25,27)