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

Systemtic Name: methyl 2-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propylthiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H25BrN4O2S2 MolecularWeight: 473.4507

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2C(=C(C(=N2)C)Br)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2C(=C(C(=N2)C)Br)C)C

InChI

InChI=1S/C18H25BrN4O2S2/c1-6-13-12(4)27-16(14(13)17(24)25-5)21-18(26)20-8-7-9-23-11(3)15(19)10(2)22-23/h6-9H2,1-5H3,(H2,20,21,26)