N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-4-nitro-benzamide

Systemtic Name: N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-4-nitro-benzamide Openeye Name: N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]-4-nitro-benzamide CAS Name: N-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]-4-nitrobenzamide Traditional Name: N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]-4-nitro-benzamide Formula: C14H19N4O4S+ MolecularWeight: 339.39006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O4S/c19-10-9-16-5-7-17(8-6-16)14(23)15-13(20)11-1-3-12(4-2-11)18(21)22/h1-4,19H,5-10H2,(H,15,20,23)/p+1