2-[3-[(Z)-N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[(Z)-N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[(Z)-N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]phenoxy]acetic acid CAS Name: 2-[3-[(1Z)-1-[[butylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]phenoxy]acetic acid IUPAC Name: 2-[3-[(Z)-N-(butylcarbamothioylamino)-C-methylcarbonimidoyl]phenoxy]acetic acid Traditional Name: 2-[3-[(Z)-N-(butylthiocarbamoylamino)-C-methyl-carbonimidoyl]phenoxy]acetic acid Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=C(C)C1=CC(=CC=C1)OCC(=O)O

Isomeric SMILES

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

InChI

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