2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(3-oxo-1-benzo[f][1]benzopyranyl)methylthio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[(3-ketobenzo[f]chromen-1-yl)methylthio]quinazolin-4-one Formula: C29H20N2O3S MolecularWeight: 476.5457

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

InChI

InChI=1S/C29H20N2O3S/c32-26-16-21(27-22-11-5-4-10-20(22)14-15-25(27)34-26)18-35-29-30-24-13-7-6-12-23(24)28(33)31(29)17-19-8-2-1-3-9-19/h1-16H,17-18H2