[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanyl-4-methyl-pentanoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanyl-4-methyl-pentanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-4-methyl-pentanoate CAS Name: 3-amino-4-methylpentanoic acid [2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-4-methylpentanoate Traditional Name: 3-amino-4-methyl-valeric acid [2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]phenyl] ester Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)OC1=CC=CC=C1NC(=S)NC2=NN=C(C=C2)C3=CC=CC=C3)N

Isomeric SMILES

CC(C)C(CC(=O)OC1=CC=CC=C1NC(=S)NC2=NN=C(C=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C23H25N5O2S/c1-15(2)17(24)14-22(29)30-20-11-7-6-10-19(20)25-23(31)26-21-13-12-18(27-28-21)16-8-4-3-5-9-16/h3-13,15,17H,14,24H2,1-2H3,(H2,25,26,28,31)