ethyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiocarbamoylamino]-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2S2/c1-5-23-12(4)16(11(3)22-23)20-19(26)21-17-15(18(24)25-6-2)13-9-7-8-10-14(13)27-17/h5-10H2,1-4H3,(H2,20,21,26)