[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanyl-3-(4-tert-butylphenyl)propanoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanyl-3-(4-tert-butylphenyl)propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-3-(4-tert-butylphenyl)propanoate CAS Name: 3-amino-3-(4-tert-butylphenyl)propanoic acid [2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-3-(4-tert-butylphenyl)propanoate Traditional Name: 3-amino-3-(4-tert-butylphenyl)propionic acid [2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]phenyl] ester Formula: C30H31N5O2S MolecularWeight: 525.66444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CC(=O)OC2=CC=CC=C2NC(=S)NC3=NN=C(C=C3)C4=CC=CC=C4)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(CC(=O)OC2=CC=CC=C2NC(=S)NC3=NN=C(C=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C30H31N5O2S/c1-30(2,3)22-15-13-20(14-16-22)23(31)19-28(36)37-26-12-8-7-11-25(26)32-29(38)33-27-18-17-24(34-35-27)21-9-5-4-6-10-21/h4-18,23H,19,31H2,1-3H3,(H2,32,33,35,38)