2-[(4-methylphenyl)carbamothioylamino]ethanesulfonic acid

Systemtic Name: 2-[(4-methylphenyl)carbamothioylamino]ethanesulfonic acid Openeye Name: 2-(p-tolylcarbamothioylamino)ethanesulfonic acid CAS Name: 2-[[(4-methylanilino)-sulfanylidenemethyl]amino]ethanesulfonic acid IUPAC Name: 2-[(4-methylphenyl)carbamothioylamino]ethanesulfonic acid Traditional Name: 2-(p-tolylthiocarbamoylamino)ethanesulfonic acid Formula: C10H14N2O3S2 MolecularWeight: 274.35976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NCCS(=O)(=O)O

InChI

InChI=1S/C10H14N2O3S2/c1-8-2-4-9(5-3-8)12-10(16)11-6-7-17(13,14)15/h2-5H,6-7H2,1H3,(H2,11,12,16)(H,13,14,15)