1-[4-[1,3-bis(oxidanylidene)-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-chloranyl-phenyl]-3-(5-chloranylthiophen-2-yl)sulfonyl-urea

Systemtic Name: 1-[4-[1,3-bis(oxidanylidene)-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-chloranyl-phenyl]-3-(5-chloranylthiophen-2-yl)sulfonyl-urea Openeye Name: 1-[3-chloro-4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]-3-[(5-chloro-2-thienyl)sulfonyl]urea CAS Name: 1-[3-chloro-4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]-3-[(5-chloro-2-thiophenyl)sulfonyl]urea IUPAC Name: 1-[3-chloro-4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea Traditional Name: 1-[3-chloro-4-[1,3-diketo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]-3-[(5-chloro-2-thienyl)sulfonyl]urea Formula: C21H12Cl2F3N3O5S2 MolecularWeight: 578.36829

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(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=C(C=C2)C(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/C21H12Cl2F3N3O5S2/c22-14-9-12(27-20(32)28-36(33,34)18-6-5-16(23)35-18)3-4-15(14)29-17(30)7-10-1-2-11(21(24,25)26)8-13(10)19(29)31/h1-6,8-9H,7H2,(H2,27,28,32)