ethyl 2-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(1,3-dimethyl-4-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[1-(1,3-dimethylpyrazol-4-yl)ethylthiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H26N4O2S2 MolecularWeight: 406.56534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(C)C3=CN(N=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(C)C3=CN(N=C3C)C

InChI

InChI=1S/C19H26N4O2S2/c1-5-25-18(24)16-13-8-6-7-9-15(13)27-17(16)21-19(26)20-11(2)14-10-23(4)22-12(14)3/h10-11H,5-9H2,1-4H3,(H2,20,21,26)