N-(cyclohexylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(cyclohexylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(cyclohexylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(cyclohexylmethyl)-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-(cyclohexylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(cyclohexylmethyl)-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C23H25N3OS MolecularWeight: 391.5291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c27-21(24-15-17-9-3-1-4-10-17)16-28-23-20-14-8-7-13-19(20)22(25-26-23)18-11-5-2-6-12-18/h2,5-8,11-14,17H,1,3-4,9-10,15-16H2,(H,24,27)