2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[6-ethyl-2-(m-tolyl)quinazolin-4-yl]sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[6-ethyl-2-(3-methylphenyl)-4-quinazolinyl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[6-ethyl-2-(m-tolyl)quinazolin-4-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)N3CCC(CC3)C)C4=CC(=CC=C4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)N3CCC(CC3)C)C4=CC(=CC=C4)C

InChI

InChI=1S/C25H29N3OS/c1-4-19-8-9-22-21(15-19)25(27-24(26-22)20-7-5-6-18(3)14-20)30-16-23(29)28-12-10-17(2)11-13-28/h5-9,14-15,17H,4,10-13,16H2,1-3H3