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

Systemtic Name: 3-bromanyl-N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[(4-butyramidophenyl)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H26BrN3O3S/c1-2-6-24(31)28-20-10-12-21(13-11-20)29-26(34)30-25(32)19-9-14-23(22(27)17-19)33-16-15-18-7-4-3-5-8-18/h3-5,7-14,17H,2,6,15-16H2,1H3,(H,28,31)(H2,29,30,32,34)