3-[[(E)-(2-methoxy-3-naphthalen-1-yl-phenyl)methylideneamino]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[(E)-(2-methoxy-3-naphthalen-1-yl-phenyl)methylideneamino]carbamothioylamino]benzoic acid Openeye Name: 3-[[(E)-[2-methoxy-3-(1-naphthyl)phenyl]methyleneamino]carbamothioylamino]benzoic acid CAS Name: 3-[[[(2E)-2-[[2-methoxy-3-(1-naphthalenyl)phenyl]methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[(E)-(2-methoxy-3-naphthalen-1-ylphenyl)methylideneamino]carbamothioylamino]benzoic acid Traditional Name: 3-[[(E)-[2-methoxy-3-(1-naphthyl)benzylidene]amino]thiocarbamoylamino]benzoic acid Formula: C26H21N3O3S MolecularWeight: 455.52824

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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=CC=CC=C43

Isomeric SMILES

COC1=C(C=CC=C1/C=N/NC(=S)NC2=CC=CC(=C2)C(=O)O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H21N3O3S/c1-32-24-19(16-27-29-26(33)28-20-11-4-9-18(15-20)25(30)31)10-6-14-23(24)22-13-5-8-17-7-2-3-12-21(17)22/h2-16H,1H3,(H,30,31)(H2,28,29,33)/b27-16+