4-bromanyl-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 4-bromanyl-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 4-bromo-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 4-bromo-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 4-bromo-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3OS/c19-15-8-6-14(7-9-15)17(23)20-18(24)22-12-10-21(11-13-22)16-4-2-1-3-5-16/h1-9H,10-13H2,(H,20,23,24)