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

Systemtic Name: ethyl 2-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(4-chlorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-(4-chlorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H21ClN4O2S2 MolecularWeight: 497.03214

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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=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H21ClN4O2S2/c1-2-31-23(30)19-14-20(17-6-4-3-5-7-17)33-22(19)27-24(32)26-21-12-13-29(28-21)15-16-8-10-18(25)11-9-16/h3-14H,2,15H2,1H3,(H2,26,27,28,32)