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

Systemtic Name: 5-bromanyl-N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C21H24BrClN4O2S MolecularWeight: 511.86286

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H24BrClN4O2S/c1-3-26-9-11-27(12-10-26)19-16(23)5-4-6-17(19)24-21(30)25-20(28)15-13-14(22)7-8-18(15)29-2/h4-8,13H,3,9-12H2,1-2H3,(H2,24,25,28,30)