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

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[(2-benzylquinazolin-4-yl)thio]-1-(4-methylpiperidino)ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-17-11-13-26(14-12-17)22(27)16-28-23-19-9-5-6-10-20(19)24-21(25-23)15-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3