methyl N-[1-[2-(4-fluoranylphenoxy)ethyl]piperidin-4-yl]-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: methyl N-[1-[2-(4-fluoranylphenoxy)ethyl]piperidin-4-yl]-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: 1-[1-[2-(4-fluorophenoxy)ethyl]-4-piperidyl]-1,2-dimethyl-3-phenyl-isothiourea CAS Name: N-[1-[2-(4-fluorophenoxy)ethyl]-4-piperidinyl]-N-methyl-N'-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 1-[1-[2-(4-fluorophenoxy)ethyl]-4-piperidyl]-1,2-dimethyl-3-phenyl-isothiourea Formula: C22H28FN3OS MolecularWeight: 401.540623

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCOC2=CC=C(C=C2)F)C(=NC3=CC=CC=C3)SC

Isomeric SMILES

CN(C1CCN(CC1)CCOC2=CC=C(C=C2)F)C(=NC3=CC=CC=C3)SC

InChI

InChI=1S/C22H28FN3OS/c1-25(22(28-2)24-19-6-4-3-5-7-19)20-12-14-26(15-13-20)16-17-27-21-10-8-18(23)9-11-21/h3-11,20H,12-17H2,1-2H3