1-(3-chloranyl-4-fluoranyl-phenyl)-5-[(2-piperidin-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-[(2-piperidin-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-[[2-(1-piperidyl)ethylamino]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-chloro-4-fluorophenyl)-5-[[2-(1-piperidinyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-[(2-piperidin-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-[(2-piperidinoethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H20ClFN4O2S MolecularWeight: 410.893403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC=C2C(=O)NC(=S)N(C2=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CCN(CC1)CCNC=C2C(=O)NC(=S)N(C2=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H20ClFN4O2S/c19-14-10-12(4-5-15(14)20)24-17(26)13(16(25)22-18(24)27)11-21-6-9-23-7-2-1-3-8-23/h4-5,10-11,21H,1-3,6-9H2,(H,22,25,27)