5-(isothiocyanatomethyl)-3-[4-[4-(2-oxidanylethanoyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one

Systemtic Name: 5-(isothiocyanatomethyl)-3-[4-[4-(2-oxidanylethanoyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one Openeye Name: 3-[4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-(isothiocyanatomethyl)oxazolidin-2-one CAS Name: 3-[4-[4-(2-hydroxy-1-oxoethyl)-1-piperazinyl]phenyl]-5-(isothiocyanatomethyl)-2-oxazolidinone IUPAC Name: 3-[4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-(isothiocyanatomethyl)-1,3-oxazolidin-2-one Traditional Name: 3-[4-(4-glycoloylpiperazino)phenyl]-5-(isothiocyanatomethyl)oxazolidin-2-one Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)N3CC(OC3=O)CN=C=S)C(=O)CO

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)N3CC(OC3=O)CN=C=S)C(=O)CO

InChI

InChI=1S/C17H20N4O4S/c22-11-16(23)20-7-5-19(6-8-20)13-1-3-14(4-2-13)21-10-15(9-18-12-26)25-17(21)24/h1-4,15,22H,5-11H2