methyl 2-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H25BrN4O2S2 MolecularWeight: 521.4935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)C)Br

InChI

InChI=1S/C22H25BrN4O2S2/c1-13-19(23)14(2)27(26-13)12-8-11-24-22(30)25-20-18(21(28)29-4)17(15(3)31-20)16-9-6-5-7-10-16/h5-7,9-10H,8,11-12H2,1-4H3,(H2,24,25,30)