3-[2,4-bis(fluoranyl)phenyl]-1-heptyl-1-[(3-phenyl-1-benzothiophen-2-yl)methyl]urea

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-heptyl-1-[(3-phenyl-1-benzothiophen-2-yl)methyl]urea Openeye Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[(3-phenylbenzothiophen-2-yl)methyl]urea CAS Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[(3-phenyl-1-benzothiophen-2-yl)methyl]urea IUPAC Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[(3-phenyl-1-benzothiophen-2-yl)methyl]urea Traditional Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[(3-phenylbenzothiophen-2-yl)methyl]urea Formula: C29H30F2N2OS MolecularWeight: 492.623106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=C(C2=CC=CC=C2S1)C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

CCCCCCCN(CC1=C(C2=CC=CC=C2S1)C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C29H30F2N2OS/c1-2-3-4-5-11-18-33(29(34)32-25-17-16-22(30)19-24(25)31)20-27-28(21-12-7-6-8-13-21)23-14-9-10-15-26(23)35-27/h6-10,12-17,19H,2-5,11,18,20H2,1H3,(H,32,34)