2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-3-(4-phenoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-3-(4-phenoxyphenyl)quinazolin-4-one Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5)C

InChI

InChI=1S/C29H29N3O3S/c1-20-16-21(2)18-31(17-20)27(33)19-36-29-30-26-11-7-6-10-25(26)28(34)32(29)22-12-14-24(15-13-22)35-23-8-4-3-5-9-23/h3-15,20-21H,16-19H2,1-2H3