2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanamide Traditional Name: N-(benzylcarbamoyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]propionamide Formula: C25H21FN4O2S MolecularWeight: 460.523243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN4O2S/c1-16(23(31)28-25(32)27-15-17-7-3-2-4-8-17)33-24-21-10-6-5-9-20(21)22(29-30-24)18-11-13-19(26)14-12-18/h2-14,16H,15H2,1H3,(H2,27,28,31,32)