3-[[(E)-(3,4-dimethoxyphenyl)methylideneamino]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[(E)-(3,4-dimethoxyphenyl)methylideneamino]carbamothioylamino]benzoic acid Openeye Name: 3-[[(E)-(3,4-dimethoxyphenyl)methyleneamino]carbamothioylamino]benzoic acid CAS Name: 3-[[[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[(E)-(3,4-dimethoxyphenyl)methylideneamino]carbamothioylamino]benzoic acid Traditional Name: 3-[[(E)-veratrylideneamino]thiocarbamoylamino]benzoic acid Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=S)NC2=CC=CC(=C2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=S)NC2=CC=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C17H17N3O4S/c1-23-14-7-6-11(8-15(14)24-2)10-18-20-17(25)19-13-5-3-4-12(9-13)16(21)22/h3-10H,1-2H3,(H,21,22)(H2,19,20,25)/b18-10+