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

Systemtic Name: methyl 2-[[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H20BrClN4O2S2 MolecularWeight: 527.8854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H20BrClN4O2S2/c1-4-14-11(2)30-18(16(14)19(27)28-3)24-20(29)23-17-15(21)10-26(25-17)9-12-5-7-13(22)8-6-12/h5-8,10H,4,9H2,1-3H3,(H2,23,24,25,29)