3-(3-methoxypropylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(3-methoxypropylcarbamothioylamino)benzoic acid Openeye Name: 3-(3-methoxypropylcarbamothioylamino)benzoic acid CAS Name: 3-[[(3-methoxypropylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(3-methoxypropylcarbamothioylamino)benzoic acid Traditional Name: 3-(3-methoxypropylthiocarbamoylamino)benzoic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

COCCCNC(=S)NC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C12H16N2O3S/c1-17-7-3-6-13-12(18)14-10-5-2-4-9(8-10)11(15)16/h2,4-5,8H,3,6-7H2,1H3,(H,15,16)(H2,13,14,18)