3-(1-azanylisoquinolin-7-yl)-2-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-N-[4-(2-cyanophenyl)phenyl]propanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-(1-azanylisoquinolin-7-yl)-2-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-N-[4-(2-cyanophenyl)phenyl]propanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-(1-amino-7-isoquinolyl)-N-[4-(2-cyanophenyl)phenyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide; 2,2,2-trifluoroacetic acid CAS Name: 3-(1-amino-7-isoquinolinyl)-N-[4-(2-cyanophenyl)phenyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide; 2,2,2-trifluoroacetic acid IUPAC Name: 3-(1-aminoisoquinolin-7-yl)-N-[4-(2-cyanophenyl)phenyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide; 2,2,2-trifluoroacetic acid Traditional Name: 3-(1-amino-7-isoquinolyl)-N-[4-(2-cyanophenyl)phenyl]-2-(1,1-diketo-1,2-thiazolidin-2-yl)propionamide; 2,2,2-trifluoroacetic acid Formula: C30H26F3N5O5S MolecularWeight: 625.61815

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(S(=O)(=O)C1)C(CC2=CC3=C(C=C2)C=CN=C3N)C(=O)NC4=CC=C(C=C4)C5=CC=CC=C5C#N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(S(=O)(=O)C1)C(CC2=CC3=C(C=C2)C=CN=C3N)C(=O)NC4=CC=C(C=C4)C5=CC=CC=C5C#N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C28H25N5O3S.C2HF3O2/c29-18-22-4-1-2-5-24(22)20-8-10-23(11-9-20)32-28(34)26(33-14-3-15-37(33,35)36)17-19-6-7-21-12-13-31-27(30)25(21)16-19;3-2(4,5)1(6)7/h1-2,4-13,16,26H,3,14-15,17H2,(H2,30,31)(H,32,34);(H,6,7)