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

Systemtic Name: methyl 2-[[4-bromanyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-bromo-1-[(2-fluorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[4-bromo-1-(2-fluorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H18BrFN4O2S2 MolecularWeight: 497.404223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=NN(C=C2Br)CC3=CC=CC=C3F)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=NN(C=C2Br)CC3=CC=CC=C3F)C(=O)OC

InChI

InChI=1S/C19H18BrFN4O2S2/c1-3-12-8-13(18(26)27-2)17(29-12)23-19(28)22-16-14(20)10-25(24-16)9-11-6-4-5-7-15(11)21/h4-8,10H,3,9H2,1-2H3,(H2,22,23,24,28)