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

Systemtic Name: 2-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(4-cyclohexylphenyl)-2-oxo-ethyl]sulfanyl-3-(3-methoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-(4-cyclohexylphenyl)-2-oxoethyl]thio]-3-(3-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-3-(3-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(4-cyclohexylphenyl)-2-keto-ethyl]thio]-3-(3-methoxyphenyl)quinazolin-4-one Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C29H28N2O3S/c1-34-24-11-7-10-23(18-24)31-28(33)25-12-5-6-13-26(25)30-29(31)35-19-27(32)22-16-14-21(15-17-22)20-8-3-2-4-9-20/h5-7,10-18,20H,2-4,8-9,19H2,1H3