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

Systemtic Name: methyl 2-[[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H18BrClN4O2S2 MolecularWeight: 513.85882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C19H18BrClN4O2S2/c1-10-11(2)29-17(15(10)18(26)27-3)23-19(28)22-16-14(20)9-25(24-16)8-12-4-6-13(21)7-5-12/h4-7,9H,8H2,1-3H3,(H2,22,23,24,28)