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

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

Click to see the large picture

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=C(C=C4)F)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CN(N=C3)CC4=CC=C(C=C4)F)Cl

InChI

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