methyl 4-[2-(4-hydroxyphenyl)ethylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-(4-hydroxyphenyl)ethylcarbamothioylamino]benzoate Openeye Name: methyl 4-[2-(4-hydroxyphenyl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(4-hydroxyphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-hydroxyphenyl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(4-hydroxyphenyl)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)O

InChI

InChI=1S/C17H18N2O3S/c1-22-16(21)13-4-6-14(7-5-13)19-17(23)18-11-10-12-2-8-15(20)9-3-12/h2-9,20H,10-11H2,1H3,(H2,18,19,23)