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

Systemtic Name: methyl 3-chloranyl-6-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[1-[(2-fluorophenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[1-(2-fluorobenzyl)pyrazol-4-yl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H16ClFN4O2S2 MolecularWeight: 474.958743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CN(N=C3)CC4=CC=CC=C4F)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CN(N=C3)CC4=CC=CC=C4F)Cl

InChI

InChI=1S/C21H16ClFN4O2S2/c1-29-20(28)19-18(22)15-7-6-13(8-17(15)31-19)25-21(30)26-14-9-24-27(11-14)10-12-4-2-3-5-16(12)23/h2-9,11H,10H2,1H3,(H2,25,26,30)