2-methyl-N-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 2-methyl-N-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-methyl-N-[2-(1-tetrahydrothiopyran-4-yl-4-piperidyl)pyrazol-3-yl]benzamide CAS Name: 2-methyl-N-[2-[1-(4-thianyl)-4-piperidinyl]-3-pyrazolyl]benzamide IUPAC Name: 2-methyl-N-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-methyl-N-[2-(1-tetrahydrothiopyran-4-yl-4-piperidyl)pyrazol-3-yl]benzamide Formula: C21H28N4OS MolecularWeight: 384.53822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CCN(CC3)C4CCSCC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CCN(CC3)C4CCSCC4

InChI

InChI=1S/C21H28N4OS/c1-16-4-2-3-5-19(16)21(26)23-20-6-11-22-25(20)18-7-12-24(13-8-18)17-9-14-27-15-10-17/h2-6,11,17-18H,7-10,12-15H2,1H3,(H,23,26)