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

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C21H26BrN4O2S+ MolecularWeight: 478.42574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2N3CC[NH+](CC3)C)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2N3CC[NH+](CC3)C)OC

InChI

InChI=1S/C21H25BrN4O2S/c1-14-12-15(22)13-16(19(14)28-3)20(27)24-21(29)23-17-6-4-5-7-18(17)26-10-8-25(2)9-11-26/h4-7,12-13H,8-11H2,1-3H3,(H2,23,24,27,29)/p+1