2-[4-[(Z)-C-methyl-N-(propan-2-ylcarbamothioylamino)carbonimidoyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[(Z)-C-methyl-N-(propan-2-ylcarbamothioylamino)carbonimidoyl]phenoxy]ethanoate Openeye Name: 2-[4-[(Z)-N-(isopropylcarbamothioylamino)-C-methyl-carbonimidoyl]phenoxy]acetate CAS Name: 2-[4-[(1Z)-1-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenoxy]acetate IUPAC Name: 2-[4-[(Z)-C-methyl-N-(propan-2-ylcarbamothioylamino)carbonimidoyl]phenoxy]acetate Traditional Name: 2-[4-[(Z)-N-(isopropylthiocarbamoylamino)-C-methyl-carbonimidoyl]phenoxy]acetate Formula: C14H18N3O3S- MolecularWeight: 308.37602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NN=C(C)C1=CC=C(C=C1)OCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S/c1-9(2)15-14(21)17-16-10(3)11-4-6-12(7-5-11)20-8-13(18)19/h4-7,9H,8H2,1-3H3,(H,18,19)(H2,15,17,21)/p-1/b16-10-