2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 1-(1-piperidyl)-2-[2-(p-tolyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 2-[[2-(4-methylphenyl)-4-quinazolinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 1-piperidino-2-[[2-(p-tolyl)quinazolin-4-yl]thio]ethanone Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)N4CCCCC4

InChI

InChI=1S/C22H23N3OS/c1-16-9-11-17(12-10-16)21-23-19-8-4-3-7-18(19)22(24-21)27-15-20(26)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-15H2,1H3