3-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoyl-(4-methoxyphenyl)amino]propanamide

Systemtic Name: 3-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoyl-(4-methoxyphenyl)amino]propanamide Openeye Name: 3-(N-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-4-methoxy-anilino)propanamide CAS Name: 3-(N-[2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-oxoethyl]-4-methoxyanilino)propanamide IUPAC Name: 3-(N-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-4-methoxyanilino)propanamide Traditional Name: 3-(N-[2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetyl]-4-methoxy-anilino)propionamide Formula: C26H23FN4O3S MolecularWeight: 490.549223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H23FN4O3S/c1-34-20-12-10-19(11-13-20)31(15-14-23(28)32)24(33)16-35-26-22-5-3-2-4-21(22)25(29-30-26)17-6-8-18(27)9-7-17/h2-13H,14-16H2,1H3,(H2,28,32)