O-methyl N-[[1-[3,5-bis(fluoranyl)-4-[4-[2-(4-hydroxyphenyl)ethanoyl]piperazin-1-yl]phenyl]-1,2,3-triazol-4-yl]methyl]carbamothioate

Systemtic Name: O-methyl N-[[1-[3,5-bis(fluoranyl)-4-[4-[2-(4-hydroxyphenyl)ethanoyl]piperazin-1-yl]phenyl]-1,2,3-triazol-4-yl]methyl]carbamothioate Openeye Name: O-methyl N-[[1-[3,5-difluoro-4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]phenyl]triazol-4-yl]methyl]carbamothioate CAS Name: N-[[1-[3,5-difluoro-4-[4-[2-(4-hydroxyphenyl)-1-oxoethyl]-1-piperazinyl]phenyl]-4-triazolyl]methyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[[1-[3,5-difluoro-4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]phenyl]triazol-4-yl]methyl]carbamothioate Traditional Name: N-[[1-[3,5-difluoro-4-[4-[2-(4-hydroxyphenyl)acetyl]piperazino]phenyl]triazol-4-yl]methyl]thiocarbamic acid O-methyl ester Formula: C23H24F2N6O3S MolecularWeight: 502.536866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=S)NCC1=CN(N=N1)C2=CC(=C(C(=C2)F)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)O)F

Isomeric SMILES

COC(=S)NCC1=CN(N=N1)C2=CC(=C(C(=C2)F)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)O)F

InChI

InChI=1S/C23H24F2N6O3S/c1-34-23(35)26-13-16-14-31(28-27-16)17-11-19(24)22(20(25)12-17)30-8-6-29(7-9-30)21(33)10-15-2-4-18(32)5-3-15/h2-5,11-12,14,32H,6-10,13H2,1H3,(H,26,35)