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

Systemtic Name: 5-bromanyl-N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C22H24BrClN4O3S MolecularWeight: 539.87296

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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=C(C=CC(=C3)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrClN4O3S/c1-3-20(29)28-10-8-27(9-11-28)18-6-5-15(24)13-17(18)25-22(32)26-21(30)16-12-14(23)4-7-19(16)31-2/h4-7,12-13H,3,8-11H2,1-2H3,(H2,25,26,30,32)