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

Systemtic Name: 1-[[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]methyl]cyclopentane-1-carboxylic acid Openeye Name: 1-[[(5-chloro-2-methyl-phenyl)carbamothioylamino]methyl]cyclopentanecarboxylic acid CAS Name: 1-[[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[(5-chloro-2-methylphenyl)carbamothioylamino]methyl]cyclopentane-1-carboxylic acid Traditional Name: 1-[[(5-chloro-2-methyl-phenyl)thiocarbamoylamino]methyl]cyclopentanecarboxylic acid Formula: C15H19ClN2O2S MolecularWeight: 326.84156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)NCC2(CCCC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)NCC2(CCCC2)C(=O)O

InChI

InChI=1S/C15H19ClN2O2S/c1-10-4-5-11(16)8-12(10)18-14(21)17-9-15(13(19)20)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,19,20)(H2,17,18,21)