2-[[phenylcarbamothioyl-(phenylmethyl)amino]carbamoyl]benzoic acid

Systemtic Name: 2-[[phenylcarbamothioyl-(phenylmethyl)amino]carbamoyl]benzoic acid Openeye Name: 2-[[benzyl(phenylcarbamothioyl)amino]carbamoyl]benzoic acid CAS Name: 2-[[2-[anilino(sulfanylidene)methyl]-2-(phenylmethyl)hydrazinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[[benzyl(phenylcarbamothioyl)amino]carbamoyl]benzoic acid Traditional Name: 2-[[benzyl(phenylthiocarbamoyl)amino]carbamoyl]benzoic acid Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C(=S)NC2=CC=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(C(=S)NC2=CC=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H19N3O3S/c26-20(18-13-7-8-14-19(18)21(27)28)24-25(15-16-9-3-1-4-10-16)22(29)23-17-11-5-2-6-12-17/h1-14H,15H2,(H,23,29)(H,24,26)(H,27,28)