2-[2-[(4-methylphenyl)carbamothioyloxy]propylcarbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-methylphenyl)carbamothioyloxy]propylcarbamoyl]benzoic acid Openeye Name: 2-[2-(p-tolylcarbamothioyloxy)propylcarbamoyl]benzoic acid CAS Name: 2-[[2-[(4-methylanilino)-sulfanylidenemethoxy]propylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-methylphenyl)carbamothioyloxy]propylcarbamoyl]benzoic acid Traditional Name: 2-[2-(p-tolylthiocarbamoyloxy)propylcarbamoyl]benzoic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-12-7-9-14(10-8-12)21-19(26)25-13(2)11-20-17(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)