N-(4-tert-butylphenyl)-2-[[2-(dimethylamino)pyridin-4-yl]methylsulfanyl]benzamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[[2-(dimethylamino)pyridin-4-yl]methylsulfanyl]benzamide Openeye Name: N-(4-tert-butylphenyl)-2-[[2-(dimethylamino)-4-pyridyl]methylsulfanyl]benzamide CAS Name: N-(4-tert-butylphenyl)-2-[[2-(dimethylamino)-4-pyridinyl]methylthio]benzamide IUPAC Name: N-(4-tert-butylphenyl)-2-[[2-(dimethylamino)pyridin-4-yl]methylsulfanyl]benzamide Traditional Name: N-(4-tert-butylphenyl)-2-[[2-(dimethylamino)-4-pyridyl]methylthio]benzamide Formula: C25H29N3OS MolecularWeight: 419.58226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC3=CC(=NC=C3)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC3=CC(=NC=C3)N(C)C

InChI

InChI=1S/C25H29N3OS/c1-25(2,3)19-10-12-20(13-11-19)27-24(29)21-8-6-7-9-22(21)30-17-18-14-15-26-23(16-18)28(4)5/h6-16H,17H2,1-5H3,(H,27,29)