4-[3-[2-methyl-4-[[N'-(3-methylbutyl)carbamimidoyl]amino]phenyl]phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-[3-[2-methyl-4-[[N'-(3-methylbutyl)carbamimidoyl]amino]phenyl]phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-[3-[4-[(N'-isopentylcarbamimidoyl)amino]-2-methyl-phenyl]phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 4-[3-[4-[[amino(3-methylbutylimino)methyl]amino]-2-methylphenyl]phenyl]sulfonyl-5-(methylthio)-2-thiophenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-[3-[2-methyl-4-[[N'-(3-methylbutyl)carbamimidoyl]amino]phenyl]phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-[3-[4-[(N'-isoamylamidino)amino]-2-methyl-phenyl]phenyl]sulfonyl-5-(methylthio)thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C29H33F6N5O6S3 MolecularWeight: 757.787639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=NCCC(C)C)N)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=NCCC(C)C)N)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C25H31N5O2S3.2C2HF3O2/c1-15(2)10-11-29-25(28)30-18-8-9-20(16(3)12-18)17-6-5-7-19(13-17)35(31,32)22-14-21(23(26)27)34-24(22)33-4;2*3-2(4,5)1(6)7/h5-9,12-15H,10-11H2,1-4H3,(H3,26,27)(H3,28,29,30);2*(H,6,7)