2-[[(2R)-1-[(4-methylphenyl)carbamothioyloxy]propan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[(2R)-1-[(4-methylphenyl)carbamothioyloxy]propan-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[(1R)-1-methyl-2-(p-tolylcarbamothioyloxy)ethyl]carbamoyl]benzoic acid CAS Name: 2-[[[(2R)-1-[(4-methylanilino)-sulfanylidenemethoxy]propan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[(2R)-1-[(4-methylphenyl)carbamothioyloxy]propan-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[(1R)-1-methyl-2-(p-tolylthiocarbamoyloxy)ethyl]carbamoyl]benzoic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)OCC(C)NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)OC[C@@H](C)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H20N2O4S/c1-12-7-9-14(10-8-12)21-19(26)25-11-13(2)20-17(22)15-5-3-4-6-16(15)18(23)24/h3-10,13H,11H2,1-2H3,(H,20,22)(H,21,26)(H,23,24)/t13-/m1/s1