ethyl (3S)-1-[(3,4-dimethylphenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3,4-dimethylphenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(3,4-dimethylphenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(3,4-dimethylanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3,4-dimethylphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(3,4-dimethylphenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=S)NC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C17H24N2O2S/c1-4-21-16(20)14-6-5-9-19(11-14)17(22)18-15-8-7-12(2)13(3)10-15/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,18,22)/t14-/m0/s1