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

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-azanyl-3-thiophen-2-yl-propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(2-thienyl)propanoate CAS Name: 3-amino-3-thiophen-2-ylpropanoic acid [2-[[oxo-[(6-phenyl-3-pyridazinyl)amino]methyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-thiophen-2-ylpropanoate Traditional Name: 3-amino-3-(2-thienyl)propionic acid [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] ester Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3OC(=O)CC(C4=CC=CS4)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3OC(=O)CC(C4=CC=CS4)N

InChI

InChI=1S/C24H21N5O3S/c25-17(21-11-6-14-33-21)15-23(30)32-20-10-5-4-9-19(20)26-24(31)27-22-13-12-18(28-29-22)16-7-2-1-3-8-16/h1-14,17H,15,25H2,(H2,26,27,29,31)