methyl 2-[2-(4-bromanylpyrazol-1-yl)ethylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-bromanylpyrazol-1-yl)ethylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-bromopyrazol-1-yl)ethylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(4-bromo-1-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-bromopyrazol-1-yl)ethylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[2-(4-bromopyrazol-1-yl)ethylthiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H24BrN5O3S2 MolecularWeight: 502.44886

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCCN2C=C(C=N2)Br)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCCN2C=C(C=N2)Br)C(=O)OC)C

InChI

InChI=1S/C18H24BrN5O3S2/c1-5-23(6-2)16(25)14-11(3)13(17(26)27-4)15(29-14)22-18(28)20-7-8-24-10-12(19)9-21-24/h9-10H,5-8H2,1-4H3,(H2,20,22,28)