methyl 3-[[(E)-furan-2-ylmethylideneamino]carbamothioylamino]benzoate

Systemtic Name: methyl 3-[[(E)-furan-2-ylmethylideneamino]carbamothioylamino]benzoate Openeye Name: methyl 3-[[(E)-2-furylmethyleneamino]carbamothioylamino]benzoate CAS Name: 3-[[[(2E)-2-(2-furanylmethylidene)hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-furan-2-ylmethylideneamino]carbamothioylamino]benzoate Traditional Name: 3-[[(E)-2-furfurylideneamino]thiocarbamoylamino]benzoic acid methyl ester Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NN=CC2=CC=CO2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)N/N=C/C2=CC=CO2

InChI

InChI=1S/C14H13N3O3S/c1-19-13(18)10-4-2-5-11(8-10)16-14(21)17-15-9-12-6-3-7-20-12/h2-9H,1H3,(H2,16,17,21)/b15-9+