1-[N-(4-methylphenyl)-N'-(phenylmethyl)carbamimidoyl]-3-phenyl-urea hydrate

Systemtic Name: 1-[N-(4-methylphenyl)-N'-(phenylmethyl)carbamimidoyl]-3-phenyl-urea hydrate Openeye Name: 1-[N'-benzyl-N-(p-tolyl)carbamimidoyl]-3-phenyl-urea hydrate CAS Name: 1-[(4-methylanilino)-(phenylmethyl)iminomethyl]-3-phenylurea hydrate IUPAC Name: 1-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]-3-phenylurea hydrate Traditional Name: 1-[N'-benzyl-N-(p-tolyl)amidino]-3-phenyl-urea hydrate Formula: C22H24N4O2 MolecularWeight: 376.45156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=NCC2=CC=CC=C2)NC(=O)NC3=CC=CC=C3.O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=NCC2=CC=CC=C2)NC(=O)NC3=CC=CC=C3.O

InChI

InChI=1S/C22H22N4O.H2O/c1-17-12-14-20(15-13-17)24-21(23-16-18-8-4-2-5-9-18)26-22(27)25-19-10-6-3-7-11-19;/h2-15H,16H2,1H3,(H3,23,24,25,26,27);1H2