2-[(2S)-3-[(2-methylphenyl)carbamothioylamino]-4-oxidanylidene-1,3-thiazolidin-2-yl]benzoate

Systemtic Name: 2-[(2S)-3-[(2-methylphenyl)carbamothioylamino]-4-oxidanylidene-1,3-thiazolidin-2-yl]benzoate Openeye Name: 2-[(2S)-3-(o-tolylcarbamothioylamino)-4-oxo-thiazolidin-2-yl]benzoate CAS Name: 2-[(2S)-3-[[(2-methylanilino)-sulfanylidenemethyl]amino]-4-oxo-2-thiazolidinyl]benzoate IUPAC Name: 2-[(2S)-3-[(2-methylphenyl)carbamothioylamino]-4-oxo-1,3-thiazolidin-2-yl]benzoate Traditional Name: 2-[(2S)-4-keto-3-(o-tolylthiocarbamoylamino)thiazolidin-2-yl]benzoate Formula: C18H16N3O3S2- MolecularWeight: 386.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NN2C(SCC2=O)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NN2[C@@H](SCC2=O)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C18H17N3O3S2/c1-11-6-2-5-9-14(11)19-18(25)20-21-15(22)10-26-16(21)12-7-3-4-8-13(12)17(23)24/h2-9,16H,10H2,1H3,(H,23,24)(H2,19,20,25)/p-1/t16-/m0/s1