ethyl 2-[(1-ethylpyrazol-3-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1-ethylpyrazol-3-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-ethylpyrazol-3-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-ethylpyrazol-3-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(1-ethylpyrazol-3-yl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C18H24N4O2S2 MolecularWeight: 392.53876

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC

Isomeric SMILES

CCN1C=CC(=N1)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC

InChI

InChI=1S/C18H24N4O2S2/c1-3-22-11-10-14(21-22)19-18(25)20-16-15(17(23)24-4-2)12-8-6-5-7-9-13(12)26-16/h10-11H,3-9H2,1-2H3,(H2,19,20,21,25)