ethyl 4-[4-[2-oxidanylidene-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[2-oxidanylidene-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-[2-oxo-5-[(propanethioylamino)methyl]oxazolidin-3-yl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[2-oxo-5-[(1-sulfanylidenepropylamino)methyl]-3-oxazolidinyl]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-keto-5-[(propanethioylamino)methyl]oxazolidin-3-yl]phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)NCC1CN(C(=O)O1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC(=S)NCC1CN(C(=O)O1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H28N4O4S/c1-3-18(29)21-13-17-14-24(20(26)28-17)16-7-5-15(6-8-16)22-9-11-23(12-10-22)19(25)27-4-2/h5-8,17H,3-4,9-14H2,1-2H3,(H,21,29)