methyl 4-[[6-(4-carbamimidoylphenyl)-3-thiomorpholin-4-yl-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-thiomorpholin-4-yl-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-thiomorpholino-pyridazine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-3-thiomorpholin-4-yl-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-thiomorpholin-4-ylpyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[6-(4-amidinophenyl)-3-thiomorpholino-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C24H30N6O3S MolecularWeight: 482.5984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN=C2N3CCSCC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN=C2N3CCSCC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C24H30N6O3S/c1-33-24(32)17-6-8-18(9-7-17)27-23(31)19-14-20(15-2-4-16(5-3-15)21(25)26)28-29-22(19)30-10-12-34-13-11-30/h2-5,14,17-18H,6-13H2,1H3,(H3,25,26)(H,27,31)