4-[2-(3-methoxypropylcarbamothioyl)hydrazinyl]benzoic acid

Systemtic Name: 4-[2-(3-methoxypropylcarbamothioyl)hydrazinyl]benzoic acid Openeye Name: 4-[2-(3-methoxypropylcarbamothioyl)hydrazino]benzoic acid CAS Name: 4-[[(3-methoxypropylamino)-sulfanylidenemethyl]hydrazo]benzoic acid IUPAC Name: 4-[2-(3-methoxypropylcarbamothioyl)hydrazinyl]benzoic acid Traditional Name: 4-[N'-(3-methoxypropylthiocarbamoyl)hydrazino]benzoic acid Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NNC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COCCCNC(=S)NNC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H17N3O3S/c1-18-8-2-7-13-12(19)15-14-10-5-3-9(4-6-10)11(16)17/h3-6,14H,2,7-8H2,1H3,(H,16,17)(H2,13,15,19)