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

Systemtic Name: methyl 4-[[4-(2-hydroxyethyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(2-hydroxyethyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(2-hydroxyethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-hydroxyethyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(2-hydroxyethyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCO

InChI

InChI=1S/C15H21N3O3S/c1-21-14(20)12-2-4-13(5-3-12)16-15(22)18-8-6-17(7-9-18)10-11-19/h2-5,19H,6-11H2,1H3,(H,16,22)