4-[[6-(4-carbamimidoylphenyl)-3-thiomorpholin-4-yl-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[6-(4-carbamimidoylphenyl)-3-thiomorpholin-4-yl-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[6-(4-carbamimidoylphenyl)-3-thiomorpholino-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-3-thiomorpholin-4-yl-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[6-(4-carbamimidoylphenyl)-3-thiomorpholin-4-ylpyridazine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[6-(4-amidinophenyl)-3-thiomorpholino-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)C2=CC(=NN=C2N3CCSCC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)C2=CC(=NN=C2N3CCSCC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C23H28N6O3S/c24-20(25)15-3-1-14(2-4-15)19-13-18(21(28-27-19)29-9-11-33-12-10-29)22(30)26-17-7-5-16(6-8-17)23(31)32/h1-4,13,16-17H,5-12H2,(H3,24,25)(H,26,30)(H,31,32)