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

Systemtic Name: 5-bromanyl-N-[[3-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[3-chloro-2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[3-chloro-2-(4-methylpiperazino)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C20H22BrClN4O2S MolecularWeight: 497.83628

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H22BrClN4O2S/c1-25-8-10-26(11-9-25)18-15(22)4-3-5-16(18)23-20(29)24-19(27)14-12-13(21)6-7-17(14)28-2/h3-7,12H,8-11H2,1-2H3,(H2,23,24,27,29)