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

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-ethylphenyl)quinazolin-4-one Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(4-ethylphenyl)quinazolin-4-one CAS Name: 2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-3-(4-ethylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-3-(4-ethylphenyl)quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CC(CC(C4)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CC(CC(C4)C)C

InChI

InChI=1S/C25H29N3O2S/c1-4-19-9-11-20(12-10-19)28-24(30)21-7-5-6-8-22(21)26-25(28)31-16-23(29)27-14-17(2)13-18(3)15-27/h5-12,17-18H,4,13-16H2,1-3H3