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

Systemtic Name: methyl 2-[[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H23ClN4O2S2 MolecularWeight: 511.05872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=S)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=S)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H23ClN4O2S2/c1-15-13-20(29-30(15)14-17-9-11-19(26)12-10-17)27-25(33)28-23-22(24(31)32-3)21(16(2)34-23)18-7-5-4-6-8-18/h4-13H,14H2,1-3H3,(H2,27,28,29,33)