[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanyl-3-(3-chlorophenyl)propanoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanyl-3-(3-chlorophenyl)propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-3-(3-chlorophenyl)propanoate CAS Name: 3-amino-3-(3-chlorophenyl)propanoic acid [2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-3-(3-chlorophenyl)propanoate Traditional Name: 3-amino-3-(3-chlorophenyl)propionic acid [2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]phenyl] ester Formula: C26H22ClN5O2S MolecularWeight: 504.00318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClN5O2S/c27-19-10-6-9-18(15-19)20(28)16-25(33)34-23-12-5-4-11-22(23)29-26(35)30-24-14-13-21(31-32-24)17-7-2-1-3-8-17/h1-15,20H,16,28H2,(H2,29,30,32,35)