4-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide

Systemtic Name: 4-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-[(3-fluorophenyl)methylthio]-4-oxo-3-quinazolinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[2-[(3-fluorobenzyl)thio]-4-keto-quinazolin-3-yl]-N-phenethyl-butyramide Formula: C27H26FN3O2S MolecularWeight: 475.577643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)F

InChI

InChI=1S/C27H26FN3O2S/c28-22-11-6-10-21(18-22)19-34-27-30-24-13-5-4-12-23(24)26(33)31(27)17-7-14-25(32)29-16-15-20-8-2-1-3-9-20/h1-6,8-13,18H,7,14-17,19H2,(H,29,32)