[4-(3-oxidanylpropylcarbamothioylamino)phenyl] propanoate

Systemtic Name: [4-(3-oxidanylpropylcarbamothioylamino)phenyl] propanoate Openeye Name: [4-(3-hydroxypropylcarbamothioylamino)phenyl] propanoate CAS Name: propanoic acid [4-[[(3-hydroxypropylamino)-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [4-(3-hydroxypropylcarbamothioylamino)phenyl] propanoate Traditional Name: propionic acid [4-(3-hydroxypropylthiocarbamoylamino)phenyl] ester Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)NC(=S)NCCCO

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)NC(=S)NCCCO

InChI

InChI=1S/C13H18N2O3S/c1-2-12(17)18-11-6-4-10(5-7-11)15-13(19)14-8-3-9-16/h4-7,16H,2-3,8-9H2,1H3,(H2,14,15,19)