3-bromanyl-N-[[3-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[[3-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-chloro-2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[3-chloro-2-(4-methylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C19H20BrClN4OS MolecularWeight: 467.8103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H20BrClN4OS/c1-24-8-10-25(11-9-24)17-15(21)6-3-7-16(17)22-19(27)23-18(26)13-4-2-5-14(20)12-13/h2-7,12H,8-11H2,1H3,(H2,22,23,26,27)