2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-3-(3-phenylpropyl)-4-quinazolinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-3-(3-phenylpropyl)quinazolin-4-one Formula: C26H22N2O4S MolecularWeight: 458.52888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCC5=CC=CC=C5

InChI

InChI=1S/C26H22N2O4S/c29-22(19-12-13-23-24(15-19)32-17-31-23)16-33-26-27-21-11-5-4-10-20(21)25(30)28(26)14-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-13,15H,6,9,14,16-17H2