ethyl (3S)-1-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(3-chloro-4-methyl-phenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3-chloro-4-methylphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C16H21ClN2O2S MolecularWeight: 340.86814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O2S/c1-3-21-15(20)12-5-4-8-19(10-12)16(22)18-13-7-6-11(2)14(17)9-13/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,18,22)/t12-/m0/s1