[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-azanyl-3-(4-methylsulfanylphenyl)propanoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-azanyl-3-(4-methylsulfanylphenyl)propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(4-methylsulfanylphenyl)propanoate CAS Name: 3-amino-3-[4-(methylthio)phenyl]propanoic acid [2-[[oxo-[(6-phenyl-3-pyridazinyl)amino]methyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(4-methylsulfanylphenyl)propanoate Traditional Name: 3-amino-3-[4-(methylthio)phenyl]propionic acid [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] ester Formula: C27H25N5O3S MolecularWeight: 499.5841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(CC(=O)OC2=CC=CC=C2NC(=O)NC3=NN=C(C=C3)C4=CC=CC=C4)N

Isomeric SMILES

CSC1=CC=C(C=C1)C(CC(=O)OC2=CC=CC=C2NC(=O)NC3=NN=C(C=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C27H25N5O3S/c1-36-20-13-11-18(12-14-20)21(28)17-26(33)35-24-10-6-5-9-23(24)29-27(34)30-25-16-15-22(31-32-25)19-7-3-2-4-8-19/h2-16,21H,17,28H2,1H3,(H2,29,30,32,34)