N-(5-chloranylpyridin-2-yl)-2-[[1-(thiolan-3-yl)piperidin-4-yl]methylamino]benzamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[[1-(thiolan-3-yl)piperidin-4-yl]methylamino]benzamide Openeye Name: N-(5-chloro-2-pyridyl)-2-[(1-tetrahydrothiophen-3-yl-4-piperidyl)methylamino]benzamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[[1-(3-thiolanyl)-4-piperidinyl]methylamino]benzamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-[[1-(thiolan-3-yl)piperidin-4-yl]methylamino]benzamide Traditional Name: N-(5-chloro-2-pyridyl)-2-[(1-tetrahydrothiophen-3-yl-4-piperidyl)methylamino]benzamide Formula: C22H27ClN4OS MolecularWeight: 430.99398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=CC=CC=C2C(=O)NC3=NC=C(C=C3)Cl)C4CCSC4

Isomeric SMILES

C1CN(CCC1CNC2=CC=CC=C2C(=O)NC3=NC=C(C=C3)Cl)C4CCSC4

InChI

InChI=1S/C22H27ClN4OS/c23-17-5-6-21(25-14-17)26-22(28)19-3-1-2-4-20(19)24-13-16-7-10-27(11-8-16)18-9-12-29-15-18/h1-6,14,16,18,24H,7-13,15H2,(H,25,26,28)