ethyl 1-[(4-butylphenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-butylphenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-butylphenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(4-butylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-butylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-butylphenyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C19H28N2O2S MolecularWeight: 348.50282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C19H28N2O2S/c1-3-5-6-15-7-9-17(10-8-15)20-19(24)21-13-11-16(12-14-21)18(22)23-4-2/h7-10,16H,3-6,11-14H2,1-2H3,(H,20,24)