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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

InChI

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