ethyl 1-[(3-iodanyl-4-methyl-phenyl)carbonylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-iodanyl-4-methyl-phenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-iodo-4-methyl-benzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(3-iodo-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-iodo-4-methylbenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-iodo-4-methyl-benzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C17H21IN2O3S MolecularWeight: 460.32971

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=CC(=C(C=C2)C)I

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=CC(=C(C=C2)C)I

InChI

InChI=1S/C17H21IN2O3S/c1-3-23-16(22)12-6-8-20(9-7-12)17(24)19-15(21)13-5-4-11(2)14(18)10-13/h4-5,10,12H,3,6-9H2,1-2H3,(H,19,21,24)