ethyl 1-(4-dimethylaminophenyl)carbothioylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-dimethylaminophenyl)carbothioylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(dimethylamino)benzenecarbothioyl]piperidine-4-carboxylate CAS Name: 1-[(4-dimethylaminophenyl)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(dimethylamino)benzenecarbothioyl]piperidine-4-carboxylate Traditional Name: 1-[4-(dimethylamino)thiobenzoyl]isonipecotic acid ethyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C17H24N2O2S/c1-4-21-17(20)14-9-11-19(12-10-14)16(22)13-5-7-15(8-6-13)18(2)3/h5-8,14H,4,9-12H2,1-3H3