N-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)cyclohexanecarboxamide; methyl 4-[(4-methyl-3-nitro-phenyl)carbonylamino]-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: N-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)cyclohexanecarboxamide; methyl 4-[(4-methyl-3-nitro-phenyl)carbonylamino]-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: N-(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)cyclohexanecarboxamide; methyl 4-[(4-methyl-3-nitro-benzoyl)amino]-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: N-[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]cyclohexanecarboxamide; 4-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)cyclohexanecarboxamide; methyl 4-[(4-methyl-3-nitrobenzoyl)amino]-5-methylsulfanylthiophene-2-carboxylate Traditional Name: N-[5-amidino-2-(methylthio)-3-thienyl]cyclohexanecarboxamide; 4-[(4-methyl-3-nitro-benzoyl)amino]-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C28H33N5O6S4 MolecularWeight: 663.85152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(SC(=C2)C(=O)OC)SC)[N+](=O)[O-].CSC1=C(C=C(S1)C(=N)N)NC(=O)C2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(SC(=C2)C(=O)OC)SC)[N+](=O)[O-].CSC1=C(C=C(S1)C(=N)N)NC(=O)C2CCCCC2

InChI

InChI=1S/C15H14N2O5S2.C13H19N3OS2/c1-8-4-5-9(6-11(8)17(20)21)13(18)16-10-7-12(14(19)22-2)24-15(10)23-3;1-18-13-9(7-10(19-13)11(14)15)16-12(17)8-5-3-2-4-6-8/h4-7H,1-3H3,(H,16,18);7-8H,2-6H2,1H3,(H3,14,15)(H,16,17)