3-[[(E)-(3-dibenzofuran-4-yl-2-methoxy-phenyl)methylideneamino]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[(E)-(3-dibenzofuran-4-yl-2-methoxy-phenyl)methylideneamino]carbamothioylamino]benzoic acid Openeye Name: 3-[[(E)-(3-dibenzofuran-4-yl-2-methoxy-phenyl)methyleneamino]carbamothioylamino]benzoic acid CAS Name: 3-[[[(2E)-2-[[3-(4-dibenzofuranyl)-2-methoxyphenyl]methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[(E)-(3-dibenzofuran-4-yl-2-methoxyphenyl)methylideneamino]carbamothioylamino]benzoic acid Traditional Name: 3-[[(E)-(3-dibenzofuran-4-yl-2-methoxy-benzylidene)amino]thiocarbamoylamino]benzoic acid Formula: C28H21N3O4S MolecularWeight: 495.54904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1C=NNC(=S)NC2=CC=CC(=C2)C(=O)O)C3=CC=CC4=C3OC5=CC=CC=C45

Isomeric SMILES

COC1=C(C=CC=C1/C=N/NC(=S)NC2=CC=CC(=C2)C(=O)O)C3=CC=CC4=C3OC5=CC=CC=C45

InChI

InChI=1S/C28H21N3O4S/c1-34-25-18(16-29-31-28(36)30-19-9-4-7-17(15-19)27(32)33)8-5-11-22(25)23-13-6-12-21-20-10-2-3-14-24(20)35-26(21)23/h2-16H,1H3,(H,32,33)(H2,30,31,36)/b29-16+