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

Systemtic Name: methyl 2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[1-(1-naphthylmethyl)pyrazol-4-yl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[1-(1-naphthalenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[1-(1-naphthylmethyl)pyrazol-4-yl]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C24H22N4O2S2 MolecularWeight: 462.58708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CN(N=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CN(N=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H22N4O2S2/c1-30-23(29)21-19-10-5-11-20(19)32-22(21)27-24(31)26-17-12-25-28(14-17)13-16-8-4-7-15-6-2-3-9-18(15)16/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H2,26,27,31)