3-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamothioylamino]benzoic acid Openeye Name: 3-[[(E)-(5-methyl-2-furyl)methyleneamino]carbamothioylamino]benzoic acid CAS Name: 3-[[[(2E)-2-[(5-methyl-2-furanyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamothioylamino]benzoic acid Traditional Name: 3-[[(E)-(5-methyl-2-furyl)methyleneamino]thiocarbamoylamino]benzoic acid Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=NNC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(O1)/C=N/NC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

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