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

Systemtic Name: 3-bromanyl-N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C20H22BrClN4OS MolecularWeight: 481.83688

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=CC=C3)Br

InChI

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