5-bromanyl-2-butoxy-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[3-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[3-(diethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(CC)CC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(CC)CC

InChI

InChI=1S/C23H28BrN3O3S/c1-4-7-13-30-20-12-11-17(24)15-19(20)21(28)26-23(31)25-18-10-8-9-16(14-18)22(29)27(5-2)6-3/h8-12,14-15H,4-7,13H2,1-3H3,(H2,25,26,28,31)