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

Systemtic Name: 2-[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[[(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl]thio]quinazolin-4-one Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O2S/c1-17-12-14-20(15-13-17)23(28)18(2)30-25-26-22-11-7-6-10-21(22)24(29)27(25)16-19-8-4-3-5-9-19/h3-15,18H,16H2,1-2H3/t18-/m0/s1