[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [1-[(3-methylquinoxalin-2-yl)methyl]-3-piperidyl]-(4-methylsulfanylphenyl)methanone CAS Name: [1-[(3-methyl-2-quinoxalinyl)methyl]-3-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [1-[(3-methylquinoxalin-2-yl)methyl]-3-piperidyl]-[4-(methylthio)phenyl]methanone Formula: C23H25N3OS MolecularWeight: 391.5291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CN3CCCC(C3)C(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CN3CCCC(C3)C(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C23H25N3OS/c1-16-22(25-21-8-4-3-7-20(21)24-16)15-26-13-5-6-18(14-26)23(27)17-9-11-19(28-2)12-10-17/h3-4,7-12,18H,5-6,13-15H2,1-2H3