3-bromanyl-4-butoxy-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[2-[(2-hydroxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO)Br

InChI

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