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

Systemtic Name: 2-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[2-(4-cyclohexylphenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-(4-cyclohexylphenyl)-2-oxoethyl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-(4-cyclohexylphenyl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C29H28N2O2S MolecularWeight: 468.60982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C29H28N2O2S/c32-27(24-17-15-23(16-18-24)22-11-5-2-6-12-22)20-34-29-30-26-14-8-7-13-25(26)28(33)31(29)19-21-9-3-1-4-10-21/h1,3-4,7-10,13-18,22H,2,5-6,11-12,19-20H2