2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[2-(4-tert-butylphenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-(4-tert-butylphenyl)-2-oxoethyl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-(4-tert-butylphenyl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

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