3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide CAS Name: 3-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanamide Traditional Name: N-(benzylcarbamoyl)-3-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]propionamide Formula: C25H21FN4O2S MolecularWeight: 460.523243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(=O)CCSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC(=O)CCSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN4O2S/c26-19-12-10-18(11-13-19)23-20-8-4-5-9-21(20)24(30-29-23)33-15-14-22(31)28-25(32)27-16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H2,27,28,31,32)