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

Systemtic Name: methyl 2-[[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-[(4-bromo-1-pyrazolyl)methyl]anilino]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]thiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H26BrN5O3S2 MolecularWeight: 564.51824

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Br)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Br)C(=O)OC)C

InChI

InChI=1S/C23H26BrN5O3S2/c1-5-28(6-2)21(30)19-14(3)18(22(31)32-4)20(34-19)27-23(33)26-17-9-7-8-15(10-17)12-29-13-16(24)11-25-29/h7-11,13H,5-6,12H2,1-4H3,(H2,26,27,33)