1-[(2S)-1-oxidanylidene-3-phenyl-1-(4-pyrimidin-4-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-pyrimidin-4-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-pyrimidin-4-ylpiperazin-1-yl)ethyl]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea CAS Name: 1-[(2S)-1-oxo-3-phenyl-1-[4-(4-pyrimidinyl)-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-pyrimidin-4-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-(4-pyrimidyl)piperazino]ethyl]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea Formula: C20H22N8O2S2 MolecularWeight: 470.57108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC=C2)C(=O)C(CC3=CC=CC=C3)NC(=O)NC4=NNC(=S)S4

Isomeric SMILES

C1CN(CCN1C2=NC=NC=C2)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)NC4=NNC(=S)S4

InChI

InChI=1S/C20H22N8O2S2/c29-17(28-10-8-27(9-11-28)16-6-7-21-13-22-16)15(12-14-4-2-1-3-5-14)23-18(30)24-19-25-26-20(31)32-19/h1-7,13,15H,8-12H2,(H,26,31)(H2,23,24,25,30)/t15-/m0/s1