methyl 3-chloranyl-6-[[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H18Cl2N4O2S2 MolecularWeight: 505.43992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C22H18Cl2N4O2S2/c1-12-9-18(27-28(12)11-13-3-5-14(23)6-4-13)26-22(31)25-15-7-8-16-17(10-15)32-20(19(16)24)21(29)30-2/h3-10H,11H2,1-2H3,(H2,25,26,27,31)