carbamothioyl 2-[4-(phenylmethyl)piperidin-1-yl]-2-pyridin-2-yl-butanoate

Systemtic Name: carbamothioyl 2-[4-(phenylmethyl)piperidin-1-yl]-2-pyridin-2-yl-butanoate Openeye Name: carbamothioyl 2-(4-benzyl-1-piperidyl)-2-(2-pyridyl)butanoate CAS Name: 2-[4-(phenylmethyl)-1-piperidinyl]-2-(2-pyridinyl)butanoic acid carbamothioyl ester IUPAC Name: carbamothioyl 2-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylbutanoate Traditional Name: 2-(4-benzylpiperidino)-2-(2-pyridyl)butyric acid thiocarbamoyl ester Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=N1)(C(=O)OC(=S)N)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC(C1=CC=CC=N1)(C(=O)OC(=S)N)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-2-22(20(26)27-21(23)28,19-10-6-7-13-24-19)25-14-11-18(12-15-25)16-17-8-4-3-5-9-17/h3-10,13,18H,2,11-12,14-16H2,1H3,(H2,23,28)