2-dodecyl-5-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]-2H-1,3-benzothiazole-3-carbothioamide

Systemtic Name: 2-dodecyl-5-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]-2H-1,3-benzothiazole-3-carbothioamide Openeye Name: 2-dodecyl-5-isopropoxy-N-[3-(trifluoromethyl)phenyl]-2H-1,3-benzothiazole-3-carbothioamide CAS Name: 2-dodecyl-5-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]-2H-1,3-benzothiazole-3-carbothioamide IUPAC Name: 2-dodecyl-5-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]-2H-1,3-benzothiazole-3-carbothioamide Traditional Name: 5-isopropoxy-2-lauryl-N-[3-(trifluoromethyl)phenyl]-2H-1,3-benzothiazole-3-carbothioamide Formula: C30H41F3N2OS2 MolecularWeight: 566.78455

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1N(C2=C(S1)C=CC(=C2)OC(C)C)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCC1N(C2=C(S1)C=CC(=C2)OC(C)C)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C30H41F3N2OS2/c1-4-5-6-7-8-9-10-11-12-13-17-28-35(26-21-25(36-22(2)3)18-19-27(26)38-28)29(37)34-24-16-14-15-23(20-24)30(31,32)33/h14-16,18-22,28H,4-13,17H2,1-3H3,(H,34,37)