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

Systemtic Name: 2-[4-[(Z)-N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]phenoxy]ethanoate Openeye Name: 2-[4-[(Z)-N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]phenoxy]acetate CAS Name: 2-[4-[(1Z)-1-[[butylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]phenoxy]acetate IUPAC Name: 2-[4-[(Z)-N-(butylcarbamothioylamino)-C-methylcarbonimidoyl]phenoxy]acetate Traditional Name: 2-[4-[(Z)-N-(butylthiocarbamoylamino)-C-methyl-carbonimidoyl]phenoxy]acetate Formula: C15H20N3O3S- MolecularWeight: 322.4026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3S/c1-3-4-9-16-15(22)18-17-11(2)12-5-7-13(8-6-12)21-10-14(19)20/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H2,16,18,22)/p-1/b17-11-