methyl 2-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[[1-[(4-fluorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[1-(4-fluorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H23FN4O2S2 MolecularWeight: 458.572023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O2S2/c1-29-21(28)19-16-5-3-2-4-6-17(16)31-20(19)25-22(30)24-18-11-12-27(26-18)13-14-7-9-15(23)10-8-14/h7-12H,2-6,13H2,1H3,(H2,24,25,26,30)