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

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[3-chloro-4-(4-ethylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C20H21BrCl2N4OS MolecularWeight: 516.28194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrCl2N4OS/c1-2-26-7-9-27(10-8-26)18-6-4-14(12-17(18)23)24-20(29)25-19(28)15-11-13(21)3-5-16(15)22/h3-6,11-12H,2,7-10H2,1H3,(H2,24,25,28,29)