O-methyl N-[[1-[3,5-bis(fluoranyl)-4-[4-[2-(1H-indol-3-yl)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-(1H-indol-3-yl)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-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]triazol-4-yl]methyl]carbamothioate CAS Name: N-[[1-[3,5-difluoro-4-[4-[2-(1H-indol-3-yl)-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-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]triazol-4-yl]methyl]carbamothioate Traditional Name: N-[[1-[3,5-difluoro-4-[4-[2-(1H-indol-3-yl)acetyl]piperazino]phenyl]triazol-4-yl]methyl]thiocarbamic acid O-methyl ester Formula: C25H25F2N7O2S MolecularWeight: 525.573506

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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=CNC5=CC=CC=C54)F

Isomeric SMILES

COC(=S)NCC1=CN(N=N1)C2=CC(=C(C(=C2)F)N3CCN(CC3)C(=O)CC4=CNC5=CC=CC=C54)F

InChI

InChI=1S/C25H25F2N7O2S/c1-36-25(37)29-14-17-15-34(31-30-17)18-11-20(26)24(21(27)12-18)33-8-6-32(7-9-33)23(35)10-16-13-28-22-5-3-2-4-19(16)22/h2-5,11-13,15,28H,6-10,14H2,1H3,(H,29,37)