[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanyl-3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanyl-3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-amino-3-(1,3-benzodioxol-5-yl)propanoic acid [2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-amino-3-(1,3-benzodioxol-5-yl)propionic acid [2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]phenyl] ester Formula: C27H23N5O4S MolecularWeight: 513.56762

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)OC3=CC=CC=C3NC(=S)NC4=NN=C(C=C4)C5=CC=CC=C5)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)OC3=CC=CC=C3NC(=S)NC4=NN=C(C=C4)C5=CC=CC=C5)N

InChI

InChI=1S/C27H23N5O4S/c28-19(18-10-12-23-24(14-18)35-16-34-23)15-26(33)36-22-9-5-4-8-21(22)29-27(37)30-25-13-11-20(31-32-25)17-6-2-1-3-7-17/h1-14,19H,15-16,28H2,(H2,29,30,32,37)