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

Systemtic Name: ethyl 4-[4-[5-[(cyclopropylcarbothioylamino)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-[5-[(cyclopropanecarbothioylamino)methyl]-2-oxo-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[5-[[[cyclopropyl(sulfanylidene)methyl]amino]methyl]-2-oxo-3-oxazolidinyl]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[5-[(cyclopropanecarbothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[5-[(cyclopropanecarbothioylamino)methyl]-2-keto-oxazolidin-3-yl]phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)N3CC(OC3=O)CNC(=S)C4CC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)N3CC(OC3=O)CNC(=S)C4CC4

InChI

InChI=1S/C21H28N4O4S/c1-2-28-20(26)24-11-9-23(10-12-24)16-5-7-17(8-6-16)25-14-18(29-21(25)27)13-22-19(30)15-3-4-15/h5-8,15,18H,2-4,9-14H2,1H3,(H,22,30)