N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

Systemtic Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide Openeye Name: N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-4-[(2-methylthiazol-4-yl)methylsulfanyl]benzamide CAS Name: N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-4-[(2-methyl-4-thiazolyl)methylthio]benzamide IUPAC Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide Traditional Name: N-[[6-(4-methylpiperazino)-3-pyridyl]methyl]-4-[(2-methylthiazol-4-yl)methylthio]benzamide Formula: C23H27N5OS2 MolecularWeight: 453.62338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)NCC3=CN=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)NCC3=CN=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C23H27N5OS2/c1-17-26-20(15-30-17)16-31-21-6-4-19(5-7-21)23(29)25-14-18-3-8-22(24-13-18)28-11-9-27(2)10-12-28/h3-8,13,15H,9-12,14,16H2,1-2H3,(H,25,29)