1-(4-tert-butylpyridin-2-yl)-3-(4-pyridin-4-ylsulfanylphenyl)urea

Systemtic Name: 1-(4-tert-butylpyridin-2-yl)-3-(4-pyridin-4-ylsulfanylphenyl)urea Openeye Name: 1-(4-tert-butyl-2-pyridyl)-3-[4-(4-pyridylsulfanyl)phenyl]urea CAS Name: 1-(4-tert-butyl-2-pyridinyl)-3-[4-(pyridin-4-ylthio)phenyl]urea IUPAC Name: 1-(4-tert-butylpyridin-2-yl)-3-(4-pyridin-4-ylsulfanylphenyl)urea Traditional Name: 1-(4-tert-butyl-2-pyridyl)-3-[4-(4-pyridylthio)phenyl]urea Formula: C21H22N4OS MolecularWeight: 378.49058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC=C1)NC(=O)NC2=CC=C(C=C2)SC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=NC=C1)NC(=O)NC2=CC=C(C=C2)SC3=CC=NC=C3

InChI

InChI=1S/C21H22N4OS/c1-21(2,3)15-8-13-23-19(14-15)25-20(26)24-16-4-6-17(7-5-16)27-18-9-11-22-12-10-18/h4-14H,1-3H3,(H2,23,24,25,26)