3-[(4-phenylmethoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(4-phenylmethoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(4-benzyloxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[oxo-(4-phenylmethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(4-benzoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H18N2O4S/c25-20(24-22(29)23-18-8-4-7-17(13-18)21(26)27)16-9-11-19(12-10-16)28-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,26,27)(H2,23,24,25,29)