2-[4-[(Z)-N-(cyclohexylcarbamothioylamino)-C-methyl-carbonimidoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(Z)-N-(cyclohexylcarbamothioylamino)-C-methyl-carbonimidoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(Z)-N-(cyclohexylcarbamothioylamino)-C-methyl-carbonimidoyl]phenoxy]acetic acid CAS Name: 2-[4-[(1Z)-1-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(Z)-N-(cyclohexylcarbamothioylamino)-C-methylcarbonimidoyl]phenoxy]acetic acid Traditional Name: 2-[4-[(Z)-N-(cyclohexylthiocarbamoylamino)-C-methyl-carbonimidoyl]phenoxy]acetic acid Formula: C17H23N3O3S MolecularWeight: 349.44782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1CCCCC1)C2=CC=C(C=C2)OCC(=O)O

Isomeric SMILES

C/C(=N/NC(=S)NC1CCCCC1)/C2=CC=C(C=C2)OCC(=O)O

InChI

InChI=1S/C17H23N3O3S/c1-12(13-7-9-15(10-8-13)23-11-16(21)22)19-20-17(24)18-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,21,22)(H2,18,20,24)/b19-12-