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

Systemtic Name: 2-[1-oxidanylidene-1-(4-propylphenyl)propan-2-yl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[1-methyl-2-oxo-2-(4-propylphenyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[1-oxo-1-(4-propylphenyl)propan-2-yl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[1-oxo-1-(4-propylphenyl)propan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-keto-1-methyl-2-(4-propylphenyl)ethyl]thio]quinazolin-4-one Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O2S/c1-3-9-20-14-16-22(17-15-20)25(30)19(2)32-27-28-24-13-8-7-12-23(24)26(31)29(27)18-21-10-5-4-6-11-21/h4-8,10-17,19H,3,9,18H2,1-2H3