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

Systemtic Name: N-[4-(2-hydroxyethyl)piperazin-1-yl]carbothioyl-2-nitro-benzamide Openeye Name: N-[4-(2-hydroxyethyl)piperazine-1-carbothioyl]-2-nitro-benzamide CAS Name: N-[[4-(2-hydroxyethyl)-1-piperazinyl]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[4-(2-hydroxyethyl)piperazine-1-carbothioyl]-2-nitrobenzamide Traditional Name: N-[4-(2-hydroxyethyl)piperazine-1-carbothioyl]-2-nitro-benzamide Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

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