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

Systemtic Name: ethyl 2-[[4-chloranyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H20Cl2N4O2S2 MolecularWeight: 531.4772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20Cl2N4O2S2/c1-2-32-23(31)17-12-20(15-8-4-3-5-9-15)34-22(17)28-24(33)27-21-19(26)14-30(29-21)13-16-10-6-7-11-18(16)25/h3-12,14H,2,13H2,1H3,(H2,27,28,29,33)