1-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-[2-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-[2-(trifluoromethyl)phenyl]urea Openeye Name: 1-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea CAS Name: 1-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-[2-(trifluoromethyl)phenyl]urea Traditional Name: 1-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea Formula: C20H24F3N3OS MolecularWeight: 411.48427

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)NC2=CC=CC=C2C(F)(F)F)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)NC2=CC=CC=C2C(F)(F)F)C3=CSC=C3

InChI

InChI=1S/C20H24F3N3OS/c21-20(22,23)16-7-3-4-8-17(16)25-19(27)24-13-18(15-9-12-28-14-15)26-10-5-1-2-6-11-26/h3-4,7-9,12,14,18H,1-2,5-6,10-11,13H2,(H2,24,25,27)