3-(2,6-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2,6-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2,6-dimethylphenyl)-2-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2,6-dimethylphenyl)-2-[[2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(2,6-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(2,6-dimethylphenyl)-2-[[2-keto-2-[(3R)-3-methylpiperidino]ethyl]thio]quinazolin-4-one Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=C4C)C

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=C4C)C

InChI

InChI=1S/C24H27N3O2S/c1-16-8-7-13-26(14-16)21(28)15-30-24-25-20-12-5-4-11-19(20)23(29)27(24)22-17(2)9-6-10-18(22)3/h4-6,9-12,16H,7-8,13-15H2,1-3H3/t16-/m1/s1