N,N-diethyl-3-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoylamino]benzamide

Systemtic Name: N,N-diethyl-3-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoylamino]benzamide Openeye Name: N,N-diethyl-3-[[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]amino]benzamide CAS Name: N,N-diethyl-3-[[2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]amino]benzamide Traditional Name: N,N-diethyl-3-[[2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetyl]amino]benzamide Formula: C27H25FN4O2S MolecularWeight: 488.576403

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H25FN4O2S/c1-3-32(4-2)27(34)19-8-7-9-21(16-19)29-24(33)17-35-26-23-11-6-5-10-22(23)25(30-31-26)18-12-14-20(28)15-13-18/h5-16H,3-4,17H2,1-2H3,(H,29,33)