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

Systemtic Name: 1-[(2S)-1-oxidanylidene-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Openeye Name: 1-[(1S)-1-benzyl-2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea CAS Name: 1-[(2S)-1-oxo-3-phenyl-1-[4-(2-pyridinyl)-1-piperazinyl]propan-2-yl]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea IUPAC Name: 1-[(2S)-1-oxo-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Traditional Name: 1-[(1S)-1-benzyl-2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea Formula: C21H23N7O2S2 MolecularWeight: 469.58302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)NC4=NNC(=S)S4

InChI

InChI=1S/C21H23N7O2S2/c29-18(28-12-10-27(11-13-28)17-8-4-5-9-22-17)16(14-15-6-2-1-3-7-15)23-19(30)24-20-25-26-21(31)32-20/h1-9,16H,10-14H2,(H,26,31)(H2,23,24,25,30)/t16-/m0/s1