4-bromanyl-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioyl-benzamide

Systemtic Name: 4-bromanyl-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazin-4-ium-1-carbothioyl)-4-bromo-benzamide CAS Name: 4-bromo-N-[[4-(phenylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazin-4-ium-1-carbothioyl)-4-bromobenzamide Traditional Name: N-(4-benzylpiperazin-4-ium-1-carbothioyl)-4-bromo-benzamide Formula: C19H21BrN3OS+ MolecularWeight: 419.35854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrN3OS/c20-17-8-6-16(7-9-17)18(24)21-19(25)23-12-10-22(11-13-23)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,24,25)/p+1