2-[3-[(Z)-C-methyl-N-[(phenylmethyl)carbamothioylamino]carbonimidoyl]phenoxy]ethanoate

Systemtic Name: 2-[3-[(Z)-C-methyl-N-[(phenylmethyl)carbamothioylamino]carbonimidoyl]phenoxy]ethanoate Openeye Name: 2-[3-[(Z)-N-(benzylcarbamothioylamino)-C-methyl-carbonimidoyl]phenoxy]acetate CAS Name: 2-[3-[(1Z)-1-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]ethyl]phenoxy]acetate IUPAC Name: 2-[3-[(Z)-N-(benzylcarbamothioylamino)-C-methylcarbonimidoyl]phenoxy]acetate Traditional Name: 2-[3-[(Z)-N-(benzylthiocarbamoylamino)-C-methyl-carbonimidoyl]phenoxy]acetate Formula: C18H18N3O3S- MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC(=CC=C2)OCC(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC=CC=C1)/C2=CC(=CC=C2)OCC(=O)[O-]

InChI

InChI=1S/C18H19N3O3S/c1-13(15-8-5-9-16(10-15)24-12-17(22)23)20-21-18(25)19-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,22,23)(H2,19,21,25)/p-1/b20-13-