(2S)-N-(ethylcarbamoyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(ethylcarbamoyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(ethylcarbamoyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide CAS Name: (2S)-N-(ethylcarbamoyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]propanamide IUPAC Name: (2S)-N-(ethylcarbamoyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanamide Traditional Name: (2S)-N-(ethylcarbamoyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]propionamide Formula: C20H19FN4O2S MolecularWeight: 398.453863

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)SC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN4O2S/c1-3-22-20(27)23-18(26)12(2)28-19-16-7-5-4-6-15(16)17(24-25-19)13-8-10-14(21)11-9-13/h4-12H,3H2,1-2H3,(H2,22,23,26,27)/t12-/m0/s1