2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-3-(4-phenoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(2,6-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:

CC1CCCC(N1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5)C

InChI

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