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

Systemtic Name: 2,4-bis(chloranyl)-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-benzamide Openeye Name: 2,4-dichloro-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzamide CAS Name: 2,4-dichloro-N-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]benzamide IUPAC Name: 2,4-dichloro-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzamide Traditional Name: 2,4-dichloro-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzamide Formula: C14H18Cl2N3O2S+ MolecularWeight: 363.28262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17Cl2N3O2S/c15-10-1-2-11(12(16)9-10)13(21)17-14(22)19-5-3-18(4-6-19)7-8-20/h1-2,9,20H,3-8H2,(H,17,21,22)/p+1