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

Systemtic Name: 3-bromanyl-N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C21H22BrClN4O2S MolecularWeight: 509.84698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H22BrClN4O2S/c1-2-19(28)27-10-8-26(9-11-27)18-7-6-16(23)13-17(18)24-21(30)25-20(29)14-4-3-5-15(22)12-14/h3-7,12-13H,2,8-11H2,1H3,(H2,24,25,29,30)