ethanoyl fluoride; 1-(1-oxidanylidene-3-phenyl-1-piperazin-1-yl-propan-2-yl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea

Systemtic Name: ethanoyl fluoride; 1-(1-oxidanylidene-3-phenyl-1-piperazin-1-yl-propan-2-yl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Openeye Name: acetyl fluoride; 1-(1-benzyl-2-oxo-2-piperazin-1-yl-ethyl)-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea CAS Name: acetyl fluoride; 1-[1-oxo-3-phenyl-1-(1-piperazinyl)propan-2-yl]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea IUPAC Name: acetyl fluoride; 1-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Traditional Name: acetyl fluoride; 1-(1-benzyl-2-keto-2-piperazino-ethyl)-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea Formula: C22H29F3N6O5S2 MolecularWeight: 578.62807

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.C1CN(CCN1)C(=O)C(CC2=CC=CC=C2)NC(=O)NC3=NNC(=S)S3

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.C1CN(CCN1)C(=O)C(CC2=CC=CC=C2)NC(=O)NC3=NNC(=S)S3

InChI

InChI=1S/C16H20N6O2S2.3C2H3FO/c23-13(22-8-6-17-7-9-22)12(10-11-4-2-1-3-5-11)18-14(24)19-15-20-21-16(25)26-15;3*1-2(3)4/h1-5,12,17H,6-10H2,(H,21,25)(H2,18,19,20,24);3*1H3