2-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]ethanoic acid

Systemtic Name: 2-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]ethanoic acid Openeye Name: 2-[(5-chloro-2-methyl-phenyl)carbamothioylamino]acetic acid CAS Name: 2-[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[(5-chloro-2-methylphenyl)carbamothioylamino]acetic acid Traditional Name: 2-[(5-chloro-2-methyl-phenyl)thiocarbamoylamino]acetic acid Formula: C10H11ClN2O2S MolecularWeight: 258.72454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)NCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)NCC(=O)O

InChI

InChI=1S/C10H11ClN2O2S/c1-6-2-3-7(11)4-8(6)13-10(16)12-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)(H2,12,13,16)