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

Systemtic Name: methyl 2-[[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3-[(4-bromo-1-pyrazolyl)methyl]anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H19BrN4O2S2 MolecularWeight: 527.45656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC(=C3)CN4C=C(C=N4)Br

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC(=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C23H19BrN4O2S2/c1-30-22(29)19-11-20(16-7-3-2-4-8-16)32-21(19)27-23(31)26-18-9-5-6-15(10-18)13-28-14-17(24)12-25-28/h2-12,14H,13H2,1H3,(H2,26,27,31)