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

Systemtic Name: ethyl 2-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C19H23BrN4O3S2 MolecularWeight: 499.44492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN4O3S2/c1-3-24-10-12(20)15(23-24)16(25)21-19(28)22-17-14(18(26)27-4-2)11-8-6-5-7-9-13(11)29-17/h10H,3-9H2,1-2H3,(H2,21,22,25,28)