1-butyl-3-[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]thiourea

Systemtic Name: 1-butyl-3-[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]thiourea Openeye Name: 1-butyl-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]thiourea CAS Name: 1-butyl-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]thiourea IUPAC Name: 1-butyl-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]thiourea Traditional Name: 1-butyl-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]thiourea Formula: C13H14F3N3OS2 MolecularWeight: 349.39497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=NC2=C(S1)C=C(C=C2)OC(F)(F)F

Isomeric SMILES

CCCCNC(=S)NC1=NC2=C(S1)C=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C13H14F3N3OS2/c1-2-3-6-17-11(21)19-12-18-9-5-4-8(7-10(9)22-12)20-13(14,15)16/h4-5,7H,2-3,6H2,1H3,(H2,17,18,19,21)