4-cyano-N-[(6-pentoxypyridin-3-yl)carbamothioyl]-4-phenyl-piperidine-1-carboxamide

Systemtic Name: 4-cyano-N-[(6-pentoxypyridin-3-yl)carbamothioyl]-4-phenyl-piperidine-1-carboxamide Openeye Name: 4-cyano-N-[(6-pentoxy-3-pyridyl)carbamothioyl]-4-phenyl-piperidine-1-carboxamide CAS Name: 4-cyano-N-[[(6-pentoxy-3-pyridinyl)amino]-sulfanylidenemethyl]-4-phenyl-1-piperidinecarboxamide IUPAC Name: 4-cyano-N-[(6-pentoxypyridin-3-yl)carbamothioyl]-4-phenylpiperidine-1-carboxamide Traditional Name: N-[(6-amoxy-3-pyridyl)thiocarbamoyl]-4-cyano-4-phenyl-piperidine-1-carboxamide Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C24H29N5O2S/c1-2-3-7-16-31-21-11-10-20(17-26-21)27-22(32)28-23(30)29-14-12-24(18-25,13-15-29)19-8-5-4-6-9-19/h4-6,8-11,17H,2-3,7,12-16H2,1H3,(H2,27,28,30,32)