ethyl 1-[(4-butylphenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(4-butylphenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(4-butylphenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[(4-butylanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-butylphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[(4-butylphenyl)thiocarbamoyl]nipecotic 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)N2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCCC(C2)C(=O)OCC

InChI

InChI=1S/C19H28N2O2S/c1-3-5-7-15-9-11-17(12-10-15)20-19(24)21-13-6-8-16(14-21)18(22)23-4-2/h9-12,16H,3-8,13-14H2,1-2H3,(H,20,24)