ethyl 2-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3-methyl-4-pyrazolyl)methyl-methylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(1-ethyl-3-methylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-thiocarbamoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H28N4O2S2 MolecularWeight: 420.59192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN(C)C(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C)CN(C)C(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C20H28N4O2S2/c1-5-24-12-14(13(3)22-24)11-23(4)20(27)21-18-17(19(25)26-6-2)15-9-7-8-10-16(15)28-18/h12H,5-11H2,1-4H3,(H,21,27)