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

Systemtic Name: methyl 2-[[4-chloranyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-chloro-1-[(2-chlorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-chloro-1-(2-chlorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H18Cl2N4O2S2 MolecularWeight: 517.45062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NN(C=C3Cl)CC4=CC=CC=C4Cl

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NN(C=C3Cl)CC4=CC=CC=C4Cl

InChI

InChI=1S/C23H18Cl2N4O2S2/c1-31-22(30)16-11-19(14-7-3-2-4-8-14)33-21(16)27-23(32)26-20-18(25)13-29(28-20)12-15-9-5-6-10-17(15)24/h2-11,13H,12H2,1H3,(H2,26,27,28,32)