1,1-dihexyl-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1,1-dihexyl-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1,1-dihexyl-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1,1-dihexyl-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1,1-dihexyl-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1,1-dihexyl-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C20H31F3N2S MolecularWeight: 388.53375

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=S)NC1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CCCCCCN(CCCCCC)C(=S)NC1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C20H31F3N2S/c1-3-5-7-11-15-25(16-12-8-6-4-2)19(26)24-18-14-10-9-13-17(18)20(21,22)23/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3,(H,24,26)