[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanyl-5-methyl-hexanoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanyl-5-methyl-hexanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-5-methyl-hexanoate CAS Name: 3-amino-5-methylhexanoic acid [2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-5-methylhexanoate Traditional Name: 3-amino-5-methyl-hexanoic acid [2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]phenyl] ester Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O2S/c1-16(2)14-18(25)15-23(30)31-21-11-7-6-10-20(21)26-24(32)27-22-13-12-19(28-29-22)17-8-4-3-5-9-17/h3-13,16,18H,14-15,25H2,1-2H3,(H2,26,27,29,32)