O-methyl N-[[(5S)-3-[3-fluoranyl-4-[1-(2-pyridin-4-ylsulfanylethanoyl)-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-(2-pyridin-4-ylsulfanylethanoyl)-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-[2-(4-pyridylsulfanyl)acetyl]-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-2-(pyridin-4-ylthio)ethyl]-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-(2-pyridin-4-ylsulfanylacetyl)-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-[2-(4-pyridylthio)acetyl]-1,2,5-triazepan-5-yl]phenyl]-2-keto-oxazolidin-5-yl]methyl]thiocarbamic acid O-methyl ester Formula: C23H27FN6O4S2 MolecularWeight: 534.626683

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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)CSC4=CC=NC=C4)F

Isomeric SMILES

COC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCNN(CC3)C(=O)CSC4=CC=NC=C4)F

InChI

InChI=1S/C23H27FN6O4S2/c1-33-22(35)26-13-17-14-29(23(32)34-17)16-2-3-20(19(24)12-16)28-9-8-27-30(11-10-28)21(31)15-36-18-4-6-25-7-5-18/h2-7,12,17,27H,8-11,13-15H2,1H3,(H,26,35)/t17-/m0/s1