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

Systemtic Name: ethyl 2-[[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H21BrN4O2S2 MolecularWeight: 541.48314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21BrN4O2S2/c1-2-31-23(30)20-12-21(17-8-4-3-5-9-17)33-22(20)28-24(32)27-19-10-6-7-16(11-19)14-29-15-18(25)13-26-29/h3-13,15H,2,14H2,1H3,(H2,27,28,32)