[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-azanyl-3-thiophen-2-yl-propanoate

Systemtic Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-azanyl-3-thiophen-2-yl-propanoate Openeye Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-amino-3-(2-thienyl)propanoate CAS Name: 3-amino-3-thiophen-2-ylpropanoic acid [2-[[amino-[(6-phenyl-3-pyridazinyl)imino]methyl]amino]phenyl] ester IUPAC Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-amino-3-thiophen-2-ylpropanoate Traditional Name: 3-amino-3-(2-thienyl)propionic acid [2-[[N'-(6-phenylpyridazin-3-yl)amidino]amino]phenyl] ester Formula: C24H22N6O2S MolecularWeight: 458.53548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N6O2S/c25-17(21-11-6-14-33-21)15-23(31)32-20-10-5-4-9-19(20)27-24(26)28-22-13-12-18(29-30-22)16-7-2-1-3-8-16/h1-14,17H,15,25H2,(H3,26,27,28,30)