1-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide

Systemtic Name: 1-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide Openeye Name: 1-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide CAS Name: 1-[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: 1-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide Traditional Name: 1-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoyl]-N,N-diethyl-nipecotamide Formula: C19H28ClN3O3S MolecularWeight: 413.96192

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC(=C(C=C2OC)Cl)OC

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC(=C(C=C2OC)Cl)OC

InChI

InChI=1S/C19H28ClN3O3S/c1-5-22(6-2)18(24)13-8-7-9-23(12-13)19(27)21-15-11-16(25-3)14(20)10-17(15)26-4/h10-11,13H,5-9,12H2,1-4H3,(H,21,27)