methyl 6-[[3-(hydroxymethyl)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[3-(hydroxymethyl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[3-(hydroxymethyl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[3-(hydroxymethyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[3-(hydroxymethyl)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[(3-methylolphenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC=CC(=C1)CO

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC=CC(=C1)CO

InChI

InChI=1S/C15H22N2O3S/c1-20-14(19)8-3-2-4-9-16-15(21)17-13-7-5-6-12(10-13)11-18/h5-7,10,18H,2-4,8-9,11H2,1H3,(H2,16,17,21)