3-hexyl-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-hexyl-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-hexyl-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-hexyl-2-[(3-oxo-1-benzo[f][1]benzopyranyl)methylthio]-4-quinazolinone IUPAC Name: 3-hexyl-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-hexyl-2-[(3-ketobenzo[f]chromen-1-yl)methylthio]quinazolin-4-one Formula: C28H26N2O3S MolecularWeight: 470.58264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C28H26N2O3S/c1-2-3-4-9-16-30-27(32)22-12-7-8-13-23(22)29-28(30)34-18-20-17-25(31)33-24-15-14-19-10-5-6-11-21(19)26(20)24/h5-8,10-15,17H,2-4,9,16,18H2,1H3