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

Systemtic Name: 2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one Openeye Name: 2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one CAS Name: 2-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-3-(3-phenylpropyl)-4-quinazolinone IUPAC Name: 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one Traditional Name: 2-[[2-keto-2-(3-methylpiperidino)ethyl]thio]-3-(3-phenylpropyl)quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c1-19-9-7-15-27(17-19)23(29)18-31-25-26-22-14-6-5-13-21(22)24(30)28(25)16-8-12-20-10-3-2-4-11-20/h2-6,10-11,13-14,19H,7-9,12,15-18H2,1H3