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

Systemtic Name: 2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 3-isobutyl-2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 3-isobutyl-2-[[2-keto-2-(3-methylpiperidino)ethyl]thio]quinazolin-4-one Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C20H27N3O2S/c1-14(2)11-23-19(25)16-8-4-5-9-17(16)21-20(23)26-13-18(24)22-10-6-7-15(3)12-22/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3