2-methylpropyl 2-[(3-butan-2-yloxycarbonyl-4-chloranyl-phenyl)-fluoranyl-carbamothioyl]-1,2-diazinane-1-carboxylate

Systemtic Name: 2-methylpropyl 2-[(3-butan-2-yloxycarbonyl-4-chloranyl-phenyl)-fluoranyl-carbamothioyl]-1,2-diazinane-1-carboxylate Openeye Name: isobutyl 2-[(4-chloro-3-sec-butoxycarbonyl-phenyl)-fluoro-carbamothioyl]hexahydropyridazine-1-carboxylate CAS Name: 2-[[3-[butan-2-yloxy(oxo)methyl]-4-chloro-N-fluoroanilino]-sulfanylidenemethyl]-1-diazinanecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[(3-butan-2-yloxycarbonyl-4-chlorophenyl)-fluorocarbamothioyl]diazinane-1-carboxylate Traditional Name: 2-[(4-chloro-3-sec-butoxycarbonyl-phenyl)-fluoro-thiocarbamoyl]hexahydropyridazine-1-carboxylic acid isobutyl ester Formula: C21H29ClFN3O4S MolecularWeight: 473.989063

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(C=CC(=C1)N(C(=S)N2CCCCN2C(=O)OCC(C)C)F)Cl

Isomeric SMILES

CCC(C)OC(=O)C1=C(C=CC(=C1)N(C(=S)N2CCCCN2C(=O)OCC(C)C)F)Cl

InChI

InChI=1S/C21H29ClFN3O4S/c1-5-15(4)30-19(27)17-12-16(8-9-18(17)22)26(23)20(31)24-10-6-7-11-25(24)21(28)29-13-14(2)3/h8-9,12,14-15H,5-7,10-11,13H2,1-4H3