[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanyl-3-(4-propan-2-ylphenyl)propanoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanyl-3-(4-propan-2-ylphenyl)propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-3-(4-isopropylphenyl)propanoate CAS Name: 3-amino-3-(4-propan-2-ylphenyl)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-propan-2-ylphenyl)propanoate Traditional Name: 3-amino-3-p-cumenyl-propionic acid [2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]phenyl] ester Formula: C29H29N5O2S MolecularWeight: 511.63786

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Descriptors Computed from Structure

Canonical SMILES:

CC(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)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/C29H29N5O2S/c1-19(2)20-12-14-21(15-13-20)23(30)18-28(35)36-26-11-7-6-10-25(26)31-29(37)32-27-17-16-24(33-34-27)22-8-4-3-5-9-22/h3-17,19,23H,18,30H2,1-2H3,(H2,31,32,34,37)