ethyl 2-butyl-3-[[4-[2-[(N-methoxy-N'-propyl-carbamimidoyl)sulfamoyl]phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: ethyl 2-butyl-3-[[4-[2-[(N-methoxy-N'-propyl-carbamimidoyl)sulfamoyl]phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[4-[2-[(N-methoxy-N'-propyl-carbamimidoyl)sulfamoyl]phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-[2-[[(methoxyamino)-propyliminomethyl]sulfamoyl]phenyl]phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[4-[2-[(N-methoxy-N'-propylcarbamimidoyl)sulfamoyl]phenyl]phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-[2-[(N-methoxy-N'-propyl-amidino)sulfamoyl]phenyl]benzyl]-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C29H39N5O5S2 MolecularWeight: 601.78046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=NCCC)NOC)C(=O)OCC)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=NCCC)NOC)C(=O)OCC)SC

InChI

InChI=1S/C29H39N5O5S2/c1-6-9-14-25-31-27(40-5)26(28(35)39-8-3)34(25)20-21-15-17-22(18-16-21)23-12-10-11-13-24(23)41(36,37)33-29(32-38-4)30-19-7-2/h10-13,15-18H,6-9,14,19-20H2,1-5H3,(H2,30,32,33)