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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C)OC

InChI

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