3-[3-[6-bromanyl-5-(butylamino)pyrazin-2-yl]sulfanyl-5-(trifluoromethyl)phenyl]-1-ethoxy-1-methyl-thiourea

Systemtic Name: 3-[3-[6-bromanyl-5-(butylamino)pyrazin-2-yl]sulfanyl-5-(trifluoromethyl)phenyl]-1-ethoxy-1-methyl-thiourea Openeye Name: 3-[3-[6-bromo-5-(butylamino)pyrazin-2-yl]sulfanyl-5-(trifluoromethyl)phenyl]-1-ethoxy-1-methyl-thiourea CAS Name: 3-[3-[[6-bromo-5-(butylamino)-2-pyrazinyl]thio]-5-(trifluoromethyl)phenyl]-1-ethoxy-1-methylthiourea IUPAC Name: 3-[3-[6-bromo-5-(butylamino)pyrazin-2-yl]sulfanyl-5-(trifluoromethyl)phenyl]-1-ethoxy-1-methylthiourea Traditional Name: 3-[3-[[6-bromo-5-(butylamino)pyrazin-2-yl]thio]-5-(trifluoromethyl)phenyl]-1-ethoxy-1-methyl-thiourea Formula: C19H23BrF3N5OS2 MolecularWeight: 538.44803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=C(N=C1Br)SC2=CC(=CC(=C2)NC(=S)N(C)OCC)C(F)(F)F

Isomeric SMILES

CCCCNC1=NC=C(N=C1Br)SC2=CC(=CC(=C2)NC(=S)N(C)OCC)C(F)(F)F

InChI

InChI=1S/C19H23BrF3N5OS2/c1-4-6-7-24-17-16(20)27-15(11-25-17)31-14-9-12(19(21,22)23)8-13(10-14)26-18(30)28(3)29-5-2/h8-11H,4-7H2,1-3H3,(H,24,25)(H,26,30)