3-(4-bromophenyl)-1-(2-fluoranyl-5-morpholin-4-ylcarbonyl-phenyl)sulfonyl-1-phenethyl-thiourea

Systemtic Name: 3-(4-bromophenyl)-1-(2-fluoranyl-5-morpholin-4-ylcarbonyl-phenyl)sulfonyl-1-phenethyl-thiourea Openeye Name: 3-(4-bromophenyl)-1-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-1-phenethyl-thiourea CAS Name: 3-(4-bromophenyl)-1-[2-fluoro-5-[4-morpholinyl(oxo)methyl]phenyl]sulfonyl-1-phenethylthiourea IUPAC Name: 3-(4-bromophenyl)-1-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-1-phenethylthiourea Traditional Name: 3-(4-bromophenyl)-1-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]sulfonyl-1-phenethyl-thiourea Formula: C26H25BrFN3O4S2 MolecularWeight: 606.526803

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N(CCC3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1COCCN1C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N(CCC3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H25BrFN3O4S2/c27-21-7-9-22(10-8-21)29-26(36)31(13-12-19-4-2-1-3-5-19)37(33,34)24-18-20(6-11-23(24)28)25(32)30-14-16-35-17-15-30/h1-11,18H,12-17H2,(H,29,36)