1-dodecyl-3-[2-(trifluoromethyl)phenyl]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=S)NC1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCNC(=S)NC1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C20H31F3N2S/c1-2-3-4-5-6-7-8-9-10-13-16-24-19(26)25-18-15-12-11-14-17(18)20(21,22)23/h11-12,14-15H,2-10,13,16H2,1H3,(H2,24,25,26)