1-[[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]methyl]cyclobutane-1-carboxylic acid

Systemtic Name: 1-[[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]methyl]cyclobutane-1-carboxylic acid Openeye Name: 1-[[(5-chloro-2-methyl-phenyl)carbamothioylamino]methyl]cyclobutanecarboxylic acid CAS Name: 1-[[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 1-[[(5-chloro-2-methylphenyl)carbamothioylamino]methyl]cyclobutane-1-carboxylic acid Traditional Name: 1-[[(5-chloro-2-methyl-phenyl)thiocarbamoylamino]methyl]cyclobutanecarboxylic acid Formula: C14H17ClN2O2S MolecularWeight: 312.81498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)NCC2(CCC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)NCC2(CCC2)C(=O)O

InChI

InChI=1S/C14H17ClN2O2S/c1-9-3-4-10(15)7-11(9)17-13(20)16-8-14(12(18)19)5-2-6-14/h3-4,7H,2,5-6,8H2,1H3,(H,18,19)(H2,16,17,20)