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

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

Isomeric SMILES

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

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)14-4-7-19(31-2)16(23)12-14/h4-7,12-13H,3,8-11H2,1-2H3,(H2,25,26,30,32)