2-[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-(4-ethylphenyl)-2-keto-1-methyl-ethyl]thio]quinazolin-4-one Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O2S/c1-3-19-13-15-21(16-14-19)24(29)18(2)31-26-27-23-12-8-7-11-22(23)25(30)28(26)17-20-9-5-4-6-10-20/h4-16,18H,3,17H2,1-2H3