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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=C4C)C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=C4C)C

InChI

InChI=1S/C24H27N3O2S/c1-16-9-8-10-17(2)22(16)27-23(29)19-12-4-5-13-20(19)25-24(27)30-15-21(28)26-14-7-6-11-18(26)3/h4-5,8-10,12-13,18H,6-7,11,14-15H2,1-3H3/t18-/m0/s1