2-(1H-benzimidazol-2-ylmethylsulfanyl)-7-morpholin-4-ylcarbonyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-7-morpholin-4-ylcarbonyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-benzyl-7-(morpholine-4-carbonyl)quinazolin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-7-[4-morpholinyl(oxo)methyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-benzyl-7-(morpholine-4-carbonyl)quinazolin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-benzyl-7-(morpholine-4-carbonyl)quinazolin-4-one Formula: C28H25N5O3S MolecularWeight: 511.5948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)CC6=CC=CC=C6

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)CC6=CC=CC=C6

InChI

InChI=1S/C28H25N5O3S/c34-26(32-12-14-36-15-13-32)20-10-11-21-24(16-20)31-28(33(27(21)35)17-19-6-2-1-3-7-19)37-18-25-29-22-8-4-5-9-23(22)30-25/h1-11,16H,12-15,17-18H2,(H,29,30)