ethyl 2-[(4-chloranyl-2-fluoranyl-5-propan-2-yloxy-phenyl)carbamothioyl]-1,2-diazinane-1-carboxylate

Systemtic Name: ethyl 2-[(4-chloranyl-2-fluoranyl-5-propan-2-yloxy-phenyl)carbamothioyl]-1,2-diazinane-1-carboxylate Openeye Name: ethyl 2-[(4-chloro-2-fluoro-5-isopropoxy-phenyl)carbamothioyl]hexahydropyridazine-1-carboxylate CAS Name: 2-[(4-chloro-2-fluoro-5-propan-2-yloxyanilino)-sulfanylidenemethyl]-1-diazinanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamothioyl]diazinane-1-carboxylate Traditional Name: 2-[(4-chloro-2-fluoro-5-isopropoxy-phenyl)thiocarbamoyl]hexahydropyridazine-1-carboxylic acid ethyl ester Formula: C17H23ClFN3O3S MolecularWeight: 403.899223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCCN1C(=S)NC2=CC(=C(C=C2F)Cl)OC(C)C

Isomeric SMILES

CCOC(=O)N1CCCCN1C(=S)NC2=CC(=C(C=C2F)Cl)OC(C)C

InChI

InChI=1S/C17H23ClFN3O3S/c1-4-24-17(23)22-8-6-5-7-21(22)16(26)20-14-10-15(25-11(2)3)12(18)9-13(14)19/h9-11H,4-8H2,1-3H3,(H,20,26)