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

Systemtic Name: methyl 2-[[4-(4-hydroxyphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-(4-hydroxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C19H21N3O3S/c1-25-18(24)16-4-2-3-5-17(16)20-19(26)22-12-10-21(11-13-22)14-6-8-15(23)9-7-14/h2-9,23H,10-13H2,1H3,(H,20,26)