3-bromanyl-N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: 3-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-4-(2-methoxyethoxy)-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: 3-bromo-N-[(4-butyramidophenyl)thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCOC)Br

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCOC)Br

InChI

InChI=1S/C21H24BrN3O4S/c1-3-4-19(26)23-15-6-8-16(9-7-15)24-21(30)25-20(27)14-5-10-18(17(22)13-14)29-12-11-28-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,26)(H2,24,25,27,30)