1-(4-chloranyl-2-fluoranyl-phenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea

Systemtic Name: 1-(4-chloranyl-2-fluoranyl-phenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Openeye Name: 1-(4-chloro-2-fluoro-phenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea CAS Name: 1-(4-chloro-2-fluorophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea IUPAC Name: 1-(4-chloro-2-fluorophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Traditional Name: 1-(4-chloro-2-fluoro-phenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]thiourea Formula: C22H19ClFN3O2S2 MolecularWeight: 475.986563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC4=C(C=C(C=C4)Cl)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC4=C(C=C(C=C4)Cl)F

InChI

InChI=1S/C22H19ClFN3O2S2/c23-17-5-10-21(20(24)13-17)26-22(30)25-18-6-8-19(9-7-18)31(28,29)27-12-11-15-3-1-2-4-16(15)14-27/h1-10,13H,11-12,14H2,(H2,25,26,30)