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

Systemtic Name: 3-bromanyl-N-[[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[3-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=CC=C2Cl)NC(=S)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=CC=C3)Br

InChI

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