(5E)-1-cyclohexyl-5-[1-[(2-pyridin-3-ylpiperidin-1-yl)amino]ethylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-cyclohexyl-5-[1-[(2-pyridin-3-ylpiperidin-1-yl)amino]ethylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-cyclohexyl-5-[1-[[2-(3-pyridyl)-1-piperidyl]amino]ethylidene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-cyclohexyl-5-[1-[[2-(3-pyridinyl)-1-piperidinyl]amino]ethylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-cyclohexyl-5-[1-[(2-pyridin-3-ylpiperidin-1-yl)amino]ethylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-cyclohexyl-5-[1-[[2-(3-pyridyl)piperidino]amino]ethylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)NC(=S)N(C1=O)C2CCCCC2)NN3CCCCC3C4=CN=CC=C4

Isomeric SMILES

C/C(=C\1/C(=O)NC(=S)N(C1=O)C2CCCCC2)/NN3CCCCC3C4=CN=CC=C4

InChI

InChI=1S/C22H29N5O2S/c1-15(25-26-13-6-5-11-18(26)16-8-7-12-23-14-16)19-20(28)24-22(30)27(21(19)29)17-9-3-2-4-10-17/h7-8,12,14,17-18,25H,2-6,9-11,13H2,1H3,(H,24,28,30)/b19-15+