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

Systemtic Name: methyl 4-[4-[5-[(ethanethioylamino)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[5-[(ethanethioylamino)methyl]-2-oxo-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[2-oxo-5-[(1-sulfanylideneethylamino)methyl]-3-oxazolidinyl]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-keto-5-[(thioacetylamino)methyl]oxazolidin-3-yl]phenyl]piperazine-1-carboxylic acid methyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S/c1-13(27)19-11-16-12-22(18(24)26-16)15-5-3-14(4-6-15)20-7-9-21(10-8-20)17(23)25-2/h3-6,16H,7-12H2,1-2H3,(H,19,27)