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

Systemtic Name: 4-ethoxy-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-benzamide Openeye Name: 4-ethoxy-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzamide CAS Name: 4-ethoxy-N-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzamide Traditional Name: 4-ethoxy-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzamide Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)CCO

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)CCO

InChI

InChI=1S/C16H23N3O3S/c1-2-22-14-5-3-13(4-6-14)15(21)17-16(23)19-9-7-18(8-10-19)11-12-20/h3-6,20H,2,7-12H2,1H3,(H,17,21,23)/p+1