1-cycloheptyl-1-[(4-thiophen-3-ylphenyl)methyl]-3-[2,4,6-tris(fluoranyl)phenyl]urea

Systemtic Name: 1-cycloheptyl-1-[(4-thiophen-3-ylphenyl)methyl]-3-[2,4,6-tris(fluoranyl)phenyl]urea Openeye Name: 1-cycloheptyl-1-[[4-(3-thienyl)phenyl]methyl]-3-(2,4,6-trifluorophenyl)urea CAS Name: 1-cycloheptyl-1-[[4-(3-thiophenyl)phenyl]methyl]-3-(2,4,6-trifluorophenyl)urea IUPAC Name: 1-cycloheptyl-1-[(4-thiophen-3-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea Traditional Name: 1-cycloheptyl-1-[4-(3-thienyl)benzyl]-3-(2,4,6-trifluorophenyl)urea Formula: C25H25F3N2OS MolecularWeight: 458.53901

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N(CC2=CC=C(C=C2)C3=CSC=C3)C(=O)NC4=C(C=C(C=C4F)F)F

Isomeric SMILES

C1CCCC(CC1)N(CC2=CC=C(C=C2)C3=CSC=C3)C(=O)NC4=C(C=C(C=C4F)F)F

InChI

InChI=1S/C25H25F3N2OS/c26-20-13-22(27)24(23(28)14-20)29-25(31)30(21-5-3-1-2-4-6-21)15-17-7-9-18(10-8-17)19-11-12-32-16-19/h7-14,16,21H,1-6,15H2,(H,29,31)