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

Systemtic Name: 3-(3-methoxyphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-2-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-2-[[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-[(2S)-2-methylpiperidino]ethyl]thio]-3-(3-methoxyphenyl)quinazolin-4-one Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H25N3O3S/c1-16-8-5-6-13-25(16)21(27)15-30-23-24-20-12-4-3-11-19(20)22(28)26(23)17-9-7-10-18(14-17)29-2/h3-4,7,9-12,14,16H,5-6,8,13,15H2,1-2H3/t16-/m0/s1