N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C22H23N5O2S MolecularWeight: 421.51532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H23N5O2S/c1-3-27-22(29)15-9-5-4-8-14(15)19(26-27)21(28)25-18(12-13-30-2)20-23-16-10-6-7-11-17(16)24-20/h4-11,18H,3,12-13H2,1-2H3,(H,23,24)(H,25,28)