methyl 2-[3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]propylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylthiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20BrF3N4O2S2 MolecularWeight: 525.40621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCCCN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCCCN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3)C(=O)OC

InChI

InChI=1S/C18H20BrF3N4O2S2/c1-9-8-11(16(27)28-2)15(30-9)24-17(29)23-6-3-7-26-13(10-4-5-10)12(19)14(25-26)18(20,21)22/h8,10H,3-7H2,1-2H3,(H2,23,24,29)