1-[(3S)-3-methylpiperidin-1-yl]-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-[(3S)-3-methyl-1-piperidyl]-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-[(3S)-3-methyl-1-piperidinyl]-2-[[2-(phenoxymethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-[(3S)-3-methylpiperidino]-2-[[2-(phenoxymethyl)quinazolin-4-yl]thio]ethanone Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)COC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)COC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-17-8-7-13-26(14-17)22(27)16-29-23-19-11-5-6-12-20(19)24-21(25-23)15-28-18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3/t17-/m0/s1