2-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC4=CC=CC=C4C(=O)N3CCCC5=CC=CC=C5

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC4=CC=CC=C4C(=O)N3CCCC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O2S/c1-18(24-28-22-15-7-5-13-20(22)25(32)30-24)34-27-29-23-16-8-6-14-21(23)26(33)31(27)17-9-12-19-10-3-2-4-11-19/h2-8,10-11,13-16,18H,9,12,17H2,1H3,(H,28,30,32)