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

Systemtic Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-1-[(3S)-3-methyl-1-piperidyl]ethanone CAS Name: 1-[(3S)-3-methyl-1-piperidinyl]-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-1-[(3S)-3-methylpiperidin-1-yl]ethanone Traditional Name: 2-[(2-benzylquinazolin-4-yl)thio]-1-[(3S)-3-methylpiperidino]ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-17-8-7-13-26(15-17)22(27)16-28-23-19-11-5-6-12-20(19)24-21(25-23)14-18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3/t17-/m0/s1