O-methyl N-[[(5S)-2-oxidanylidene-3-(6-piperazin-1-ylpyridin-3-yl)-1,3-oxazolidin-5-yl]methyl]carbamothioate

Systemtic Name: O-methyl N-[[(5S)-2-oxidanylidene-3-(6-piperazin-1-ylpyridin-3-yl)-1,3-oxazolidin-5-yl]methyl]carbamothioate Openeye Name: O-methyl N-[[(5S)-2-oxo-3-(6-piperazin-1-yl-3-pyridyl)oxazolidin-5-yl]methyl]carbamothioate CAS Name: N-[[(5S)-2-oxo-3-[6-(1-piperazinyl)-3-pyridinyl]-5-oxazolidinyl]methyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[[(5S)-2-oxo-3-(6-piperazin-1-ylpyridin-3-yl)-1,3-oxazolidin-5-yl]methyl]carbamothioate Traditional Name: N-[[(5S)-2-keto-3-(6-piperazino-3-pyridyl)oxazolidin-5-yl]methyl]thiocarbamic acid O-methyl ester Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=S)NCC1CN(C(=O)O1)C2=CN=C(C=C2)N3CCNCC3

Isomeric SMILES

COC(=S)NC[C@H]1CN(C(=O)O1)C2=CN=C(C=C2)N3CCNCC3

InChI

InChI=1S/C15H21N5O3S/c1-22-14(24)18-9-12-10-20(15(21)23-12)11-2-3-13(17-8-11)19-6-4-16-5-7-19/h2-3,8,12,16H,4-7,9-10H2,1H3,(H,18,24)/t12-/m0/s1