1-[4-[1,3-bis(oxidanylidene)-6-[2,2,2-tris(fluoranyl)ethylamino]-4H-isoquinolin-2-yl]-3-chloranyl-phenyl]-3-(5-chloranylthiophen-2-yl)sulfonyl-urea

Systemtic Name: 1-[4-[1,3-bis(oxidanylidene)-6-[2,2,2-tris(fluoranyl)ethylamino]-4H-isoquinolin-2-yl]-3-chloranyl-phenyl]-3-(5-chloranylthiophen-2-yl)sulfonyl-urea Openeye Name: 1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-[(5-chloro-2-thienyl)sulfonyl]urea CAS Name: 1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-[(5-chloro-2-thiophenyl)sulfonyl]urea IUPAC Name: 1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea Traditional Name: 1-[3-chloro-4-[1,3-diketo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-[(5-chloro-2-thienyl)sulfonyl]urea Formula: C22H15Cl2F3N4O5S2 MolecularWeight: 607.40951

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)NCC(F)(F)F)C(=O)N(C1=O)C3=C(C=C(C=C3)NC(=O)NS(=O)(=O)C4=CC=C(S4)Cl)Cl

Isomeric SMILES

C1C2=C(C=CC(=C2)NCC(F)(F)F)C(=O)N(C1=O)C3=C(C=C(C=C3)NC(=O)NS(=O)(=O)C4=CC=C(S4)Cl)Cl

InChI

InChI=1S/C22H15Cl2F3N4O5S2/c23-15-9-13(29-21(34)30-38(35,36)19-6-5-17(24)37-19)2-4-16(15)31-18(32)8-11-7-12(28-10-22(25,26)27)1-3-14(11)20(31)33/h1-7,9,28H,8,10H2,(H2,29,30,34)