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

Systemtic Name: ethyl 2-[[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-bromo-1-[(2-chlorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-bromo-1-(2-chlorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H22BrClN4O2S2 MolecularWeight: 589.95478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NN(C=C3Br)CC4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NN(C=C3Br)CC4=CC=CC=C4Cl

InChI

InChI=1S/C25H22BrClN4O2S2/c1-3-33-24(32)21-20(16-9-5-4-6-10-16)15(2)35-23(21)29-25(34)28-22-18(26)14-31(30-22)13-17-11-7-8-12-19(17)27/h4-12,14H,3,13H2,1-2H3,(H2,28,29,30,34)