4-(3-methoxypropylcarbamothioylamino)benzoic acid

Systemtic Name: 4-(3-methoxypropylcarbamothioylamino)benzoic acid Openeye Name: 4-(3-methoxypropylcarbamothioylamino)benzoic acid CAS Name: 4-[[(3-methoxypropylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-(3-methoxypropylcarbamothioylamino)benzoic acid Traditional Name: 4-(3-methoxypropylthiocarbamoylamino)benzoic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S/c1-17-8-2-7-13-12(18)14-10-5-3-9(4-6-10)11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)(H2,13,14,18)