O-methyl N-[[(5S)-3-[3-fluoranyl-4-[1-(3-pyrazol-1-ylpropanoyl)-1,2,5-triazepan-5-yl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]carbamothioate

Systemtic Name: O-methyl N-[[(5S)-3-[3-fluoranyl-4-[1-(3-pyrazol-1-ylpropanoyl)-1,2,5-triazepan-5-yl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]carbamothioate Openeye Name: O-methyl N-[[(5S)-3-[3-fluoro-4-[1-(3-pyrazol-1-ylpropanoyl)-1,2,5-triazepan-5-yl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]carbamothioate CAS Name: N-[[(5S)-3-[3-fluoro-4-[1-[1-oxo-3-(1-pyrazolyl)propyl]-1,2,5-triazepan-5-yl]phenyl]-2-oxo-5-oxazolidinyl]methyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[[(5S)-3-[3-fluoro-4-[1-(3-pyrazol-1-ylpropanoyl)-1,2,5-triazepan-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate Traditional Name: N-[[(5S)-3-[3-fluoro-4-[1-(3-pyrazol-1-ylpropanoyl)-1,2,5-triazepan-5-yl]phenyl]-2-keto-oxazolidin-5-yl]methyl]thiocarbamic acid O-methyl ester Formula: C22H28FN7O4S MolecularWeight: 505.565623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=S)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCNN(CC3)C(=O)CCN4C=CC=N4)F

Isomeric SMILES

COC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCNN(CC3)C(=O)CCN4C=CC=N4)F

InChI

InChI=1S/C22H28FN7O4S/c1-33-21(35)24-14-17-15-29(22(32)34-17)16-3-4-19(18(23)13-16)27-10-7-26-30(12-11-27)20(31)5-9-28-8-2-6-25-28/h2-4,6,8,13,17,26H,5,7,9-12,14-15H2,1H3,(H,24,35)/t17-/m0/s1