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

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanyl-3-(2-bromophenyl)propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-3-(2-bromophenyl)propanoate CAS Name: 3-amino-3-(2-bromophenyl)propanoic acid [2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-3-(2-bromophenyl)propanoate Traditional Name: 3-amino-3-(2-bromophenyl)propionic acid [2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]phenyl] ester Formula: C26H22BrN5O2S MolecularWeight: 548.45418

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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=C4Br)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3OC(=O)CC(C4=CC=CC=C4Br)N

InChI

InChI=1S/C26H22BrN5O2S/c27-19-11-5-4-10-18(19)20(28)16-25(33)34-23-13-7-6-12-22(23)29-26(35)30-24-15-14-21(31-32-24)17-8-2-1-3-9-17/h1-15,20H,16,28H2,(H2,29,30,32,35)