2-(4-bromanylphenoxy)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]acetamide Formula: C22H25BrN4O3S MolecularWeight: 505.4279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN4O3S/c1-2-21(29)27-13-11-26(12-14-27)18-7-5-17(6-8-18)24-22(31)25-20(28)15-30-19-9-3-16(23)4-10-19/h3-10H,2,11-15H2,1H3,(H2,24,25,28,31)