1-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]carbothioylpiperidine-4-carboxamide

Systemtic Name: 1-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]carbothioylpiperidine-4-carboxamide Openeye Name: 1-[3-ethoxy-4-[(2-fluorophenyl)methoxy]benzenecarbothioyl]piperidine-4-carboxamide CAS Name: 1-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-ethoxy-4-[(2-fluorophenyl)methoxy]benzenecarbothioyl]piperidine-4-carboxamide Traditional Name: 1-[3-ethoxy-4-(2-fluorobenzyl)oxy-thiobenzoyl]isonipecotamide Formula: C22H25FN2O3S MolecularWeight: 416.508903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCC(CC2)C(=O)N)OCC3=CC=CC=C3F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCC(CC2)C(=O)N)OCC3=CC=CC=C3F

InChI

InChI=1S/C22H25FN2O3S/c1-2-27-20-13-16(22(29)25-11-9-15(10-12-25)21(24)26)7-8-19(20)28-14-17-5-3-4-6-18(17)23/h3-8,13,15H,2,9-12,14H2,1H3,(H2,24,26)