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

Systemtic Name: 5-bromanyl-2-methoxy-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C20H23BrN4O4S2 MolecularWeight: 527.45502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H23BrN4O4S2/c1-29-18-8-3-14(21)13-17(18)19(26)23-20(30)22-15-4-6-16(7-5-15)24-9-11-25(12-10-24)31(2,27)28/h3-8,13H,9-12H2,1-2H3,(H2,22,23,26,30)