3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazolin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one Traditional Name: 3-homoveratryl-2-[(2-keto-2-piperidino-ethyl)thio]quinazolin-4-one Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCC4)OC

InChI

InChI=1S/C25H29N3O4S/c1-31-21-11-10-18(16-22(21)32-2)12-15-28-24(30)19-8-4-5-9-20(19)26-25(28)33-17-23(29)27-13-6-3-7-14-27/h4-5,8-11,16H,3,6-7,12-15,17H2,1-2H3