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

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C19H20BrClN4O3S2 MolecularWeight: 531.8741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrClN4O3S2/c1-30(27,28)25-10-8-24(9-11-25)15-5-3-14(4-6-15)22-19(29)23-18(26)16-12-13(20)2-7-17(16)21/h2-7,12H,8-11H2,1H3,(H2,22,23,26,29)