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

Systemtic Name: 5-bromanyl-N-[[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[3-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=CC=C2Cl)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

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

InChI

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