4-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]-N-phenyl-benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C25H23N3O3S/c29-16-6-15-28-24(31)21-9-4-5-10-22(21)27-25(28)32-17-18-11-13-19(14-12-18)23(30)26-20-7-2-1-3-8-20/h1-5,7-14,29H,6,15-17H2,(H,26,30)