3-(4-butylphenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-butylphenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(4-butylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(4-butylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-butylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-butylphenyl)-2-[(4-keto-1H-quinazolin-2-yl)methylthio]quinazolin-4-one Formula: C27H24N4O2S MolecularWeight: 468.57006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C27H24N4O2S/c1-2-3-8-18-13-15-19(16-14-18)31-26(33)21-10-5-7-12-23(21)29-27(31)34-17-24-28-22-11-6-4-9-20(22)25(32)30-24/h4-7,9-16H,2-3,8,17H2,1H3,(H,28,30,32)