2-[4-(3-methoxypropylcarbamothioylamino)phenyl]ethanoate

Systemtic Name: 2-[4-(3-methoxypropylcarbamothioylamino)phenyl]ethanoate Openeye Name: 2-[4-(3-methoxypropylcarbamothioylamino)phenyl]acetate CAS Name: 2-[4-[[(3-methoxypropylamino)-sulfanylidenemethyl]amino]phenyl]acetate IUPAC Name: 2-[4-(3-methoxypropylcarbamothioylamino)phenyl]acetate Traditional Name: 2-[4-(3-methoxypropylthiocarbamoylamino)phenyl]acetate Formula: C13H17N2O3S- MolecularWeight: 281.35068

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NC1=CC=C(C=C1)CC(=O)[O-]

Isomeric SMILES

COCCCNC(=S)NC1=CC=C(C=C1)CC(=O)[O-]

InChI

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