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

Systemtic Name: 1-[[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[[(5-chloro-2-methyl-phenyl)carbamothioylamino]methyl]cyclohexanecarboxylic acid CAS Name: 1-[[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[(5-chloro-2-methylphenyl)carbamothioylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[[(5-chloro-2-methyl-phenyl)thiocarbamoylamino]methyl]cyclohexanecarboxylic acid Formula: C16H21ClN2O2S MolecularWeight: 340.86814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)NCC2(CCCCC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)NCC2(CCCCC2)C(=O)O

InChI

InChI=1S/C16H21ClN2O2S/c1-11-5-6-12(17)9-13(11)19-15(22)18-10-16(14(20)21)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,20,21)(H2,18,19,22)