methyl 2-(1H-pyrazol-5-ylmethylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(1H-pyrazol-5-ylmethylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(1H-pyrazol-5-ylmethylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(1H-pyrazol-5-ylmethylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1H-pyrazol-5-ylmethylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(1H-pyrazol-5-ylmethylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C15H18N4O2S2 MolecularWeight: 350.45902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCC3=CC=NN3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCC3=CC=NN3

InChI

InChI=1S/C15H18N4O2S2/c1-21-14(20)12-10-4-2-3-5-11(10)23-13(12)18-15(22)16-8-9-6-7-17-19-9/h6-7H,2-5,8H2,1H3,(H,17,19)(H2,16,18,22)