4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]carbamothioylamino]benzoic acid

Systemtic Name: 4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]carbamothioylamino]benzoic acid Openeye Name: 4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[5-[anilino(oxo)methyl]-2-methoxyanilino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]thiocarbamoylamino]benzoic acid Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H19N3O4S/c1-29-19-12-9-15(20(26)23-16-5-3-2-4-6-16)13-18(19)25-22(30)24-17-10-7-14(8-11-17)21(27)28/h2-13H,1H3,(H,23,26)(H,27,28)(H2,24,25,30)