5-bromanyl-2-(2-methoxyethoxy)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(2-methoxyethoxy)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-(2-methoxyethoxy)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methoxyethoxy)-N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methoxyethoxy)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-(2-methoxyethoxy)-N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]benzamide Formula: C22H27BrN4O5S2 MolecularWeight: 571.50758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN4O5S2/c1-26-9-11-27(12-10-26)34(29,30)18-6-4-17(5-7-18)24-22(33)25-21(28)19-15-16(23)3-8-20(19)32-14-13-31-2/h3-8,15H,9-14H2,1-2H3,(H2,24,25,28,33)