(Z)-3-(3-carbamimidoylphenyl)-4-ethylsulfanyl-2-fluoranyl-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide

Systemtic Name: (Z)-3-(3-carbamimidoylphenyl)-4-ethylsulfanyl-2-fluoranyl-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide Openeye Name: (Z)-3-(3-carbamimidoylphenyl)-4-ethylsulfanyl-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide CAS Name: (Z)-3-(3-carbamimidoylphenyl)-4-(ethylthio)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]-2-butenamide IUPAC Name: (Z)-3-(3-carbamimidoylphenyl)-4-ethylsulfanyl-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide Traditional Name: (Z)-3-(3-amidinophenyl)-4-(ethylthio)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide Formula: C25H25FN4O3S2 MolecularWeight: 512.619403

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(=C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)F)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CCSC/C(=C(/C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)\F)/C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C25H25FN4O3S2/c1-2-34-15-21(17-6-5-7-18(14-17)24(27)28)23(26)25(31)30-19-12-10-16(11-13-19)20-8-3-4-9-22(20)35(29,32)33/h3-14H,2,15H2,1H3,(H3,27,28)(H,30,31)(H2,29,32,33)/b23-21+