N-[4-(2-hydroxyethyl)piperazin-1-yl]carbothioyl-3-nitro-benzamide

Systemtic Name: N-[4-(2-hydroxyethyl)piperazin-1-yl]carbothioyl-3-nitro-benzamide Openeye Name: N-[4-(2-hydroxyethyl)piperazine-1-carbothioyl]-3-nitro-benzamide CAS Name: N-[[4-(2-hydroxyethyl)-1-piperazinyl]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[4-(2-hydroxyethyl)piperazine-1-carbothioyl]-3-nitrobenzamide Traditional Name: N-[4-(2-hydroxyethyl)piperazine-1-carbothioyl]-3-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/c19-9-8-16-4-6-17(7-5-16)14(23)15-13(20)11-2-1-3-12(10-11)18(21)22/h1-3,10,19H,4-9H2,(H,15,20,23)