methyl 2-[[1-(phenylmethyl)pyrazol-3-yl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-(phenylmethyl)pyrazol-3-yl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(1-benzylpyrazol-3-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[1-(phenylmethyl)-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-benzylpyrazol-3-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(1-benzylpyrazol-3-yl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H20N4O2S2 MolecularWeight: 412.5284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=NN(C=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=NN(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O2S2/c1-26-19(25)17-14-8-5-9-15(14)28-18(17)22-20(27)21-16-10-11-24(23-16)12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H2,21,22,23,27)