1-[(5-chloranyl-2-methyl-phenyl)carbamothioyl]-3-methyl-piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methyl-phenyl)carbamothioyl]-3-methyl-piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-methyl-phenyl)carbamothioyl]-3-methyl-piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-methylanilino)-sulfanylidenemethyl]-3-methyl-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methylphenyl)carbamothioyl]-3-methylpiperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-methyl-phenyl)thiocarbamoyl]-3-methyl-nipecotic 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)N2CCCC(C2)(C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCCC(C2)(C)C(=O)O

InChI

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