5-carbamimidoyl-2-methylsulfanyl-N-phenacyl-thiophene-3-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 5-carbamimidoyl-2-methylsulfanyl-N-phenacyl-thiophene-3-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5-carbamimidoyl-2-methylsulfanyl-N-phenacyl-thiophene-3-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 5-carbamimidoyl-2-(methylthio)-N-phenacyl-3-thiophenecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 5-carbamimidoyl-2-methylsulfanyl-N-phenacylthiophene-3-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: 5-amidino-2-(methylthio)-N-phenacyl-thiophene-3-carboxamide; 2,2,2-trifluoroacetic acid Formula: C17H16F3N3O4S2 MolecularWeight: 447.45185

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)C(=O)NCC(=O)C2=CC=CC=C2.C(=O)(C(F)(F)F)O

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)C(=O)NCC(=O)C2=CC=CC=C2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C15H15N3O2S2.C2HF3O2/c1-21-15-10(7-12(22-15)13(16)17)14(20)18-8-11(19)9-5-3-2-4-6-9;3-2(4,5)1(6)7/h2-7H,8H2,1H3,(H3,16,17)(H,18,20);(H,6,7)