[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl 4-(3-azanylpyridin-2-yl)oxybenzoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl 4-(3-azanylpyridin-2-yl)oxybenzoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl 4-[(3-amino-2-pyridyl)oxy]benzoate CAS Name: 4-[(3-amino-2-pyridinyl)oxy]benzoic acid [2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl]methyl ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl 4-(3-aminopyridin-2-yl)oxybenzoate Traditional Name: 4-[(3-amino-2-pyridyl)oxy]benzoic acid [2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]benzyl] ester Formula: C30H24N6O3S MolecularWeight: 548.61496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3COC(=O)C4=CC=C(C=C4)OC5=C(C=CC=N5)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3COC(=O)C4=CC=C(C=C4)OC5=C(C=CC=N5)N

InChI

InChI=1S/C30H24N6O3S/c31-24-10-6-18-32-28(24)39-23-14-12-21(13-15-23)29(37)38-19-22-9-4-5-11-25(22)33-30(40)34-27-17-16-26(35-36-27)20-7-2-1-3-8-20/h1-18H,19,31H2,(H2,33,34,36,40)