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

Systemtic Name: O-methyl N-[[1-[4-[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-4-yl]methyl]carbamothioate Openeye Name: O-methyl N-[[1-[4-[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-3,5-difluoro-phenyl]triazol-4-yl]methyl]carbamothioate CAS Name: N-[[1-[4-[4-(3-aminophenyl)sulfonyl-1-piperazinyl]-3,5-difluorophenyl]-4-triazolyl]methyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[[1-[4-[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-3,5-difluorophenyl]triazol-4-yl]methyl]carbamothioate Traditional Name: N-[[1-[4-[4-(3-aminophenyl)sulfonylpiperazino]-3,5-difluoro-phenyl]triazol-4-yl]methyl]thiocarbamic acid O-methyl ester Formula: C21H23F2N7O3S2 MolecularWeight: 523.579226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F2N7O3S2/c1-33-21(34)25-12-15-13-30(27-26-15)16-10-18(22)20(19(23)11-16)28-5-7-29(8-6-28)35(31,32)17-4-2-3-14(24)9-17/h2-4,9-11,13H,5-8,12,24H2,1H3,(H,25,34)