5-bromanyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-furan-2-carboxamide CAS Name: 5-bromo-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromofuran-2-carboxamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-furamide Formula: C17H18BrN3O2S MolecularWeight: 408.31272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C17H18BrN3O2S/c18-15-7-6-14(23-15)16(22)19-17(24)21-10-8-20(9-11-21)12-13-4-2-1-3-5-13/h1-7H,8-12H2,(H,19,22,24)