ethyl N-[1-[4-[3,4-bis(fluoranyl)phenoxy]butyl]piperidin-4-yl]-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: ethyl N-[1-[4-[3,4-bis(fluoranyl)phenoxy]butyl]piperidin-4-yl]-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: 1-[1-[4-(3,4-difluorophenoxy)butyl]-4-piperidyl]-2-ethyl-1-methyl-3-phenyl-isothiourea CAS Name: N-[1-[4-(3,4-difluorophenoxy)butyl]-4-piperidinyl]-N-methyl-N'-phenylcarbamimidothioic acid ethyl ester IUPAC Name: ethyl N-[1-[4-(3,4-difluorophenoxy)butyl]piperidin-4-yl]-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 1-[1-[4-(3,4-difluorophenoxy)butyl]-4-piperidyl]-2-ethyl-1-methyl-3-phenyl-isothiourea Formula: C25H33F2N3OS MolecularWeight: 461.610826

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC=CC=C1)N(C)C2CCN(CC2)CCCCOC3=CC(=C(C=C3)F)F

Isomeric SMILES

CCSC(=NC1=CC=CC=C1)N(C)C2CCN(CC2)CCCCOC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C25H33F2N3OS/c1-3-32-25(28-20-9-5-4-6-10-20)29(2)21-13-16-30(17-14-21)15-7-8-18-31-22-11-12-23(26)24(27)19-22/h4-6,9-12,19,21H,3,7-8,13-18H2,1-2H3