1-[3-(4-fluorophenyl)-1-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea

Systemtic Name: 1-[3-(4-fluorophenyl)-1-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Openeye Name: 1-[1-[(4-fluorophenyl)methyl]-2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea CAS Name: 1-[3-(4-fluorophenyl)-1-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]propan-2-yl]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea IUPAC Name: 1-[3-(4-fluorophenyl)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Traditional Name: 1-[1-(4-fluorobenzyl)-2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea Formula: C21H22FN7O2S2 MolecularWeight: 487.573483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C(CC3=CC=C(C=C3)F)NC(=O)NC4=NNC(=S)S4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C(CC3=CC=C(C=C3)F)NC(=O)NC4=NNC(=S)S4

InChI

InChI=1S/C21H22FN7O2S2/c22-15-6-4-14(5-7-15)13-16(24-19(31)25-20-26-27-21(32)33-20)18(30)29-11-9-28(10-12-29)17-3-1-2-8-23-17/h1-8,16H,9-13H2,(H,27,32)(H2,24,25,26,31)