2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methylpropylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methylpropylcarbamoyl)ethanamide Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(isobutylcarbamoyl)acetamide CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-[(2-methylpropylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-(isobutylcarbamoyl)acetamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CNC(=O)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN4O2S/c1-13(2)11-23-21(28)24-18(27)12-29-20-17-6-4-3-5-16(17)19(25-26-20)14-7-9-15(22)10-8-14/h3-10,13H,11-12H2,1-2H3,(H2,23,24,27,28)