2-[4-[(Z)-N-(butylcarbamothioylamino)-C-ethyl-carbonimidoyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[(Z)-N-(butylcarbamothioylamino)-C-ethyl-carbonimidoyl]phenoxy]ethanoate Openeye Name: 2-[4-[(Z)-N-(butylcarbamothioylamino)-C-ethyl-carbonimidoyl]phenoxy]acetate CAS Name: 2-[4-[(1Z)-1-[[butylamino(sulfanylidene)methyl]hydrazinylidene]propyl]phenoxy]acetate IUPAC Name: 2-[4-[(Z)-N-(butylcarbamothioylamino)-C-ethylcarbonimidoyl]phenoxy]acetate Traditional Name: 2-[4-[(Z)-N-(butylthiocarbamoylamino)-C-ethyl-carbonimidoyl]phenoxy]acetate Formula: C16H22N3O3S- MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S/c1-3-5-10-17-16(23)19-18-14(4-2)12-6-8-13(9-7-12)22-11-15(20)21/h6-9H,3-5,10-11H2,1-2H3,(H,20,21)(H2,17,19,23)/p-1/b18-14-