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

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanyl-3-cyclohexyl-propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-3-cyclohexyl-propanoate CAS Name: 3-amino-3-cyclohexylpropanoic acid [2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-3-cyclohexylpropanoate Traditional Name: 3-amino-3-cyclohexyl-propionic acid [2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]phenyl] ester Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)OC2=CC=CC=C2NC(=S)NC3=NN=C(C=C3)C4=CC=CC=C4)N

Isomeric SMILES

C1CCC(CC1)C(CC(=O)OC2=CC=CC=C2NC(=S)NC3=NN=C(C=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C26H29N5O2S/c27-20(18-9-3-1-4-10-18)17-25(32)33-23-14-8-7-13-22(23)28-26(34)29-24-16-15-21(30-31-24)19-11-5-2-6-12-19/h2,5-8,11-16,18,20H,1,3-4,9-10,17,27H2,(H2,28,29,31,34)