3-(4-methylsulfanylphenyl)-1,1-bis(pyridin-3-ylmethyl)urea

Systemtic Name: 3-(4-methylsulfanylphenyl)-1,1-bis(pyridin-3-ylmethyl)urea Openeye Name: 3-(4-methylsulfanylphenyl)-1,1-bis(3-pyridylmethyl)urea CAS Name: 3-[4-(methylthio)phenyl]-1,1-bis(3-pyridinylmethyl)urea IUPAC Name: 3-(4-methylsulfanylphenyl)-1,1-bis(pyridin-3-ylmethyl)urea Traditional Name: 3-[4-(methylthio)phenyl]-1,1-bis(3-pyridylmethyl)urea Formula: C20H20N4OS MolecularWeight: 364.464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N(CC2=CN=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N(CC2=CN=CC=C2)CC3=CN=CC=C3

InChI

InChI=1S/C20H20N4OS/c1-26-19-8-6-18(7-9-19)23-20(25)24(14-16-4-2-10-21-12-16)15-17-5-3-11-22-13-17/h2-13H,14-15H2,1H3,(H,23,25)