2-[(4-oxidanylidene-3-phenyl-4aH-quinazolin-3-ium-2-yl)sulfanyl]-N-[(4-phenyloxan-4-yl)methyl]ethanamide

Systemtic Name: 2-[(4-oxidanylidene-3-phenyl-4aH-quinazolin-3-ium-2-yl)sulfanyl]-N-[(4-phenyloxan-4-yl)methyl]ethanamide Openeye Name: 2-[(4-oxo-3-phenyl-4aH-quinazolin-3-ium-2-yl)sulfanyl]-N-[(4-phenyltetrahydropyran-4-yl)methyl]acetamide CAS Name: 2-[(4-oxo-3-phenyl-4aH-quinazolin-3-ium-2-yl)thio]-N-[(4-phenyl-4-oxanyl)methyl]acetamide IUPAC Name: 2-[(4-oxo-3-phenyl-4aH-quinazolin-3-ium-2-yl)sulfanyl]-N-[(4-phenyloxan-4-yl)methyl]acetamide Traditional Name: 2-[(4-keto-3-phenyl-4aH-quinazolin-3-ium-2-yl)thio]-N-[(4-phenyltetrahydropyran-4-yl)methyl]acetamide Formula: C28H28N3O3S+ MolecularWeight: 486.60522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CNC(=O)CSC2=[N+](C(=O)C3C=CC=CC3=N2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCCC1(CNC(=O)CSC2=[N+](C(=O)C3C=CC=CC3=N2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3S/c32-25(29-20-28(15-17-34-18-16-28)21-9-3-1-4-10-21)19-35-27-30-24-14-8-7-13-23(24)26(33)31(27)22-11-5-2-6-12-22/h1-14,23H,15-20H2/p+1