ethyl 1-[(4-butyl-2-methyl-phenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(4-butyl-2-methyl-phenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(4-butyl-2-methyl-phenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[(4-butyl-2-methylanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-butyl-2-methylphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[(4-butyl-2-methyl-phenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C20H30N2O2S MolecularWeight: 362.5294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O2S/c1-4-6-8-16-10-11-18(15(3)13-16)21-20(25)22-12-7-9-17(14-22)19(23)24-5-2/h10-11,13,17H,4-9,12,14H2,1-3H3,(H,21,25)