N-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]phenyl]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]phenyl]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]phenyl]acetamide; 2,2,2-trifluoroacetic acid CAS Name: N-[2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]phenyl]acetamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]phenyl]acetamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]phenyl]acetamide; 2,2,2-trifluoroacetic acid Formula: C22H20F3N3O5S3 MolecularWeight: 559.60151

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(=O)NC1=CC=CC=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H19N3O3S3.C2HF3O2/c1-12(24)23-16-9-4-3-8-15(16)13-6-5-7-14(10-13)29(25,26)18-11-17(19(21)22)28-20(18)27-2;3-2(4,5)1(6)7/h3-11H,1-2H3,(H3,21,22)(H,23,24);(H,6,7)