5-bromanyl-2-chloranyl-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C23H20BrClN4O2S2 MolecularWeight: 563.9175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H20BrClN4O2S2/c24-15-3-8-19(25)18(14-15)21(30)27-23(32)26-16-4-6-17(7-5-16)28-9-11-29(12-10-28)22(31)20-2-1-13-33-20/h1-8,13-14H,9-12H2,(H2,26,27,30,32)