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

Systemtic Name: 3-chloranyl-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-benzamide Openeye Name: 3-chloro-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzamide CAS Name: 3-chloro-N-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzamide Traditional Name: 3-chloro-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzamide Formula: C14H19ClN3O2S+ MolecularWeight: 328.83756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O2S/c15-12-3-1-2-11(10-12)13(20)16-14(21)18-6-4-17(5-7-18)8-9-19/h1-3,10,19H,4-9H2,(H,16,20,21)/p+1