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

Systemtic Name: methyl 3-chloranyl-6-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[1-[(2-chlorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[1-(2-chlorobenzyl)pyrazol-3-yl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H16Cl2N4O2S2 MolecularWeight: 491.41334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=NN(C=C3)CC4=CC=CC=C4Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=NN(C=C3)CC4=CC=CC=C4Cl)Cl

InChI

InChI=1S/C21H16Cl2N4O2S2/c1-29-20(28)19-18(23)14-7-6-13(10-16(14)31-19)24-21(30)25-17-8-9-27(26-17)11-12-4-2-3-5-15(12)22/h2-10H,11H2,1H3,(H2,24,25,26,30)