[6-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]pyridin-3-yl] 2-phenoxyethanoate

Systemtic Name: [6-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]pyridin-3-yl] 2-phenoxyethanoate Openeye Name: [6-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]-3-pyridyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [6-[(1E)-1-(carbamothioylhydrazinylidene)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]pyridin-3-yl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [6-[(E)-C-methyl-N-thioureido-carbonimidoyl]-3-pyridyl] ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N)C1=NC=C(C=C1)OC(=O)COC2=CC=CC=C2

Isomeric SMILES

C/C(=N\NC(=S)N)/C1=NC=C(C=C1)OC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C16H16N4O3S/c1-11(19-20-16(17)24)14-8-7-13(9-18-14)23-15(21)10-22-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H3,17,20,24)/b19-11+