1-(4-methylpiperidin-1-yl)-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(4-methyl-1-piperidyl)-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[[2-(phenoxymethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(4-methylpiperidino)-2-[[2-(phenoxymethyl)quinazolin-4-yl]thio]ethanone Formula: C23H25N3O2S MolecularWeight: 407.5285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)COC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)COC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-17-11-13-26(14-12-17)22(27)16-29-23-19-9-5-6-10-20(19)24-21(25-23)15-28-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3