methyl 2-[4-(3-oxidanylpropylcarbamothioylamino)phenyl]ethanoate

Systemtic Name: methyl 2-[4-(3-oxidanylpropylcarbamothioylamino)phenyl]ethanoate Openeye Name: methyl 2-[4-(3-hydroxypropylcarbamothioylamino)phenyl]acetate CAS Name: 2-[4-[[(3-hydroxypropylamino)-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-hydroxypropylcarbamothioylamino)phenyl]acetate Traditional Name: 2-[4-(3-hydroxypropylthiocarbamoylamino)phenyl]acetic acid methyl ester Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCCO

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCCO

InChI

InChI=1S/C13H18N2O3S/c1-18-12(17)9-10-3-5-11(6-4-10)15-13(19)14-7-2-8-16/h3-6,16H,2,7-9H2,1H3,(H2,14,15,19)