3-bromanyl-N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[3-chloro-4-(4-ethylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C20H22BrClN4OS MolecularWeight: 481.83688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br)Cl

InChI

InChI=1S/C20H22BrClN4OS/c1-2-25-8-10-26(11-9-25)18-7-6-16(13-17(18)22)23-20(28)24-19(27)14-4-3-5-15(21)12-14/h3-7,12-13H,2,8-11H2,1H3,(H2,23,24,27,28)