methyl 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(4-ethylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-ethylphenyl)thiocarbamoyl]isonipecotic acid methyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C16H22N2O2S/c1-3-12-4-6-14(7-5-12)17-16(21)18-10-8-13(9-11-18)15(19)20-2/h4-7,13H,3,8-11H2,1-2H3,(H,17,21)