ethyl 4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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