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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=CC(=C3)CN4C=CC=N4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=CC(=C3)CN4C=CC=N4

InChI

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