N-[[(5S)-2-oxidanylidene-3-[6-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)pyridin-3-yl]-1,3-oxazolidin-5-yl]methyl]ethanethioamide

Systemtic Name: N-[[(5S)-2-oxidanylidene-3-[6-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)pyridin-3-yl]-1,3-oxazolidin-5-yl]methyl]ethanethioamide Openeye Name: N-[[(5S)-2-oxo-3-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridyl]oxazolidin-5-yl]methyl]thioacetamide CAS Name: N-[[(5S)-2-oxo-3-[6-[4-[oxo(2-pyrazinyl)methyl]-1-piperazinyl]-3-pyridinyl]-5-oxazolidinyl]methyl]ethanethioamide IUPAC Name: N-[[(5S)-2-oxo-3-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyridin-3-yl]-1,3-oxazolidin-5-yl]methyl]ethanethioamide Traditional Name: N-[[(5S)-2-keto-3-[6-(4-pyrazinoylpiperazino)-3-pyridyl]oxazolidin-5-yl]methyl]thioacetamide Formula: C20H23N7O3S MolecularWeight: 441.50672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCC1CN(C(=O)O1)C2=CN=C(C=C2)N3CCN(CC3)C(=O)C4=NC=CN=C4

Isomeric SMILES

CC(=S)NC[C@H]1CN(C(=O)O1)C2=CN=C(C=C2)N3CCN(CC3)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C20H23N7O3S/c1-14(31)23-11-16-13-27(20(29)30-16)15-2-3-18(24-10-15)25-6-8-26(9-7-25)19(28)17-12-21-4-5-22-17/h2-5,10,12,16H,6-9,11,13H2,1H3,(H,23,31)/t16-/m0/s1