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

Systemtic Name: 3-bromanyl-4-methoxy-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C20H23BrN4O4S2 MolecularWeight: 527.45502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C)Br

InChI

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