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

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanyl-3-(4-ethylphenyl)propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-3-(4-ethylphenyl)propanoate CAS Name: 3-amino-3-(4-ethylphenyl)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-ethylphenyl)propanoate Traditional Name: 3-amino-3-(4-ethylphenyl)propionic acid [2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]phenyl] ester Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CC(=O)OC2=CC=CC=C2NC(=S)NC3=NN=C(C=C3)C4=CC=CC=C4)N

Isomeric SMILES

CCC1=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/C28H27N5O2S/c1-2-19-12-14-20(15-13-19)22(29)18-27(34)35-25-11-7-6-10-24(25)30-28(36)31-26-17-16-23(32-33-26)21-8-4-3-5-9-21/h3-17,22H,2,18,29H2,1H3,(H2,30,31,33,36)