(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: (2R)-2-(2-methylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-(2-methylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-[(2-methyl-4-quinazolinyl)thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: (2R)-2-(2-methylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-[(2-methylquinazolin-4-yl)thio]-1-(4-phenylpiperazino)propan-1-one Formula: C22H24N4OS MolecularWeight: 392.51716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)S[C@H](C)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c1-16(28-21-19-10-6-7-11-20(19)23-17(2)24-21)22(27)26-14-12-25(13-15-26)18-8-4-3-5-9-18/h3-11,16H,12-15H2,1-2H3/t16-/m1/s1