2-[azanyl(dodecyl)amino]-5-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-carbothioamide

Systemtic Name: 2-[azanyl(dodecyl)amino]-5-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-carbothioamide Openeye Name: 2-[amino(dodecyl)amino]-5-isopropyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydrothiazol-3-ium-3-carbothioamide CAS Name: 2-[amino(dodecyl)amino]-5-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydrothiazol-3-ium-3-carbothioamide IUPAC Name: 2-[amino(dodecyl)amino]-5-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-carbothioamide Traditional Name: 2-[amino(lauryl)amino]-5-isopropyl-N-[3-(trifluoromethyl)phenyl]-2-thiazolin-3-ium-3-carbothioamide Formula: C26H42F3N4S2+ MolecularWeight: 531.76369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(C1=[N+](CC(S1)C(C)C)C(=S)NC2=CC=CC(=C2)C(F)(F)F)N

Isomeric SMILES

CCCCCCCCCCCCN(C1=[N+](CC(S1)C(C)C)C(=S)NC2=CC=CC(=C2)C(F)(F)F)N

InChI

InChI=1S/C26H41F3N4S2/c1-4-5-6-7-8-9-10-11-12-13-17-33(30)25-32(19-23(35-25)20(2)3)24(34)31-22-16-14-15-21(18-22)26(27,28)29/h14-16,18,20,23H,4-13,17,19,30H2,1-3H3/p+1