ethyl (3S)-1-[(3-methoxyphenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3-methoxyphenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(3-methoxyphenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(3-methoxyanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3-methoxyphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(3-methoxyphenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-3-21-15(19)12-6-5-9-18(11-12)16(22)17-13-7-4-8-14(10-13)20-2/h4,7-8,10,12H,3,5-6,9,11H2,1-2H3,(H,17,22)/t12-/m0/s1